| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 55.8 | Low | 59.4 | Low | 243 Ų | 243 | 151.5 Ų | 151.5 | 100% | 1.197 | 87% | 0.873 | S | S | * | * | 0 | 133 | 0 | -75.5 | 160.9 | 157.8 | 0 | 0 | 108.4 | |||||
| 2 | F | 59.3 | Low | 58.2 | Low | 203 Ų | 203 | 147.7 Ų | 147.7 | 89% | 0.89 | 87% | 0.874 | S | S | * | * | trans | -101.2 | 169.8 | 168.6 | -77.6 | -64.7 | 0 | 0 | 0 | 107.7 | ||||
| 3 | P | 65.6 | Low | 57.2 | Low | 113 Ų | 113 | 144.5 Ų | 144.5 | 73% | 0.734 | 87% | 0.874 | S | S | * | * | cis | -155.4 | 164.3 | 40.7 | 43.5 | -20.9 | 0 | 0 | 0 | 122 | ||||
| 4 | S | 52.2 | Low | 56.3 | Low | 103 Ų | 103 | 142 Ų | 142 | 72% | 0.72 | 88% | 0.876 | S | S | * | * | trans | 37 | 127.8 | 134.8 | -50.8 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 5 | K | 69.9 | Low | 55.4 | Low | 203 Ų | 203 | 139 Ų | 139 | 88% | 0.883 | 87% | 0.871 | S | S | * | * | -140.6 | 126.6 | 122 | -58 | -172.8 | -177.9 | 178.6 | 0 | 106.1 | |||||
| 6 | K | 66.8 | Low | 54.6 | Low | 204 Ų | 204 | 137 Ų | 137 | 89% | 0.887 | 87% | 0.872 | S | S | * | * | 52 | 136.7 | 61.7 | -78.4 | -165 | 177.3 | -175.2 | 0 | 114.6 | |||||
| 7 | A | 56.8 | Low | 54.1 | Low | 90 Ų | 90 | 135 Ų | 135 | 74% | 0.744 | 87% | 0.871 | S | S | * | * | cis | -177.6 | 139.2 | -25.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 8 | T | 64.4 | Low | 53.8 | Low | 151 Ų | 151 | 135.1 Ų | 135.1 | 93% | 0.926 | 87% | 0.869 | S | S | * | * | trans | -146.3 | 160.3 | 159 | 55.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 9 | S | 57.7 | Low | 53.4 | Low | 121 Ų | 121 | 133.6 Ų | 133.6 | 85% | 0.846 | 86% | 0.862 | S | S | * | * | trans | -154.6 | 137.6 | -170.1 | 56.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 10 | S | 57.3 | Low | 53.1 | Low | 128 Ų | 128 | 132.5 Ų | 132.5 | 90% | 0.895 | 86% | 0.858 | S | S | * | * | trans | -144.7 | 146.1 | 148.5 | 60.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 11 | A | 47.8 | Very low | 52.8 | Low | 107 Ų | 107 | 133.9 Ų | 133.9 | 88% | 0.884 | 86% | 0.858 | S | S | * | * | trans | -128.9 | 142.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 12 | A | 44.9 | Very low | 52.3 | Low | 106 Ų | 106 | 129.1 Ų | 129.1 | 88% | 0.876 | 84% | 0.838 | S | S | * | * | trans | -143.9 | 128.2 | 161.9 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 13 | A | 45.3 | Very low | 51.7 | Low | 107 Ų | 107 | 122.6 Ų | 122.6 | 88% | 0.884 | 82% | 0.817 | S | S | * | * | trans | -128.7 | 137.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 14 | A | 44.6 | Very low | 50.9 | Low | 109 Ų | 109 | 127.6 Ų | 127.6 | 90% | 0.901 | 82% | 0.822 | S | S | * | * | trans | -154.5 | 145.4 | 160.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 15 | A | 42.8 | Very low | 50.6 | Low | 97 Ų | 97 | 132.1 Ų | 132.1 | 80% | 0.802 | 83% | 0.831 | S | S | * | * | trans | -141.7 | 165 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 16 | A | 41.9 | Very low | 49.3 | Very low | 107 Ų | 107 | 130.6 Ų | 130.6 | 88% | 0.884 | 83% | 0.827 | S | S | * | * | trans | 65.5 | 159.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 17 | A | 46.5 | Very low | 48 | Very low | 103 Ų | 103 | 125.8 Ų | 125.8 | 85% | 0.851 | 83% | 0.826 | S | S | * | * | cis | -139.2 | -171.1 | 13.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 18 | V | 49.4 | Very low | 47.6 | Very low | 137 Ų | 137 | 128.7 Ų | 128.7 | 83% | 0.83 | 83% | 0.826 | S | S | * | * | trans | -113.4 | 154.9 | -175.1 | 64.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 19 | S | 46 | Very low | 46.5 | Very low | 106 Ų | 106 | 127.3 Ų | 127.3 | 74% | 0.741 | 82% | 0.821 | S | S | * | * | trans | 85.5 | 163 | 157.7 | -147.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 20 | S | 47.9 | Very low | 45.9 | Very low | 112 Ų | 112 | 127.9 Ų | 127.9 | 78% | 0.783 | 82% | 0.819 | S | S | * | * | trans | 83.9 | 126.1 | 164.5 | -56.8 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 21 | N | 45.7 | Very low | 45 | Very low | 162 Ų | 162 | 130.9 Ų | 130.9 | 87% | 0.866 | 82% | 0.819 | S | S | * | * | trans | -66.2 | 153.7 | 164.5 | -63.5 | -28.3 | 0 | 0 | 0 | 111 | ||||
| 22 | D | 45.1 | Very low | 44.7 | Very low | 143 Ų | 143 | 131 Ų | 131 | 77% | 0.765 | 82% | 0.82 | S | S | * | * | 172.6 | 164.2 | 99.4 | -173.4 | -125.7 | 0 | 0 | 0 | 112.7 | |||||
| 23 | S | 47.6 | Very low | 44.7 | Very low | 66 Ų | 66 | 132.9 Ų | 132.9 | 46% | 0.462 | 82% | 0.815 | S | S | . | * | trans | 73.7 | 122.2 | 150.3 | -93.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 24 | R | 48.7 | Very low | 44.8 | Very low | 218 Ų | 218 | 133 Ų | 133 | 82% | 0.823 | 81% | 0.81 | S | S | * | * | trans | 67.6 | 100.9 | 136.1 | -61.1 | 165.9 | 173.7 | 157.8 | -2.5 | 118.9 | ||||
| 25 | Q | 45 | Very low | 44.9 | Very low | 197 Ų | 197 | 131.9 Ų | 131.9 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | -171.9 | 87.3 | 118.7 | -102.8 | 158.5 | 63.5 | 0 | 0 | 114 | |||||
| 26 | Q | 42.6 | Very low | 45.6 | Very low | 171 Ų | 171 | 132.7 Ų | 132.7 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | trans | -167.9 | 96.2 | 136.5 | -111.2 | 177 | 25.9 | 0 | 0 | 109.9 | M28 | Q26-M28 HydrophobicContact CG-CE 4.34Å; Q26-M28 VanDerWaalsContact OE1-CE 3.29Å | ||
| 27 | A | 41 | Very low | 45.7 | Very low | 104 Ų | 104 | 130.8 Ų | 130.8 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | -102.9 | 112.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 28 | M | 47.9 | Very low | 46.4 | Very low | 151 Ų | 151 | 133.8 Ų | 133.8 | 74% | 0.744 | 80% | 0.8 | S | S | * | * | trans | -144.7 | 84 | 173.4 | 50 | -166.2 | 171.2 | 0 | 0 | 109 | Q26 | Q26-M28 HydrophobicContact CG-CE 4.34Å; Q26-M28 VanDerWaalsContact OE1-CE 3.29Å | ||
| 29 | C | 40.3 | Very low | 46.7 | Very low | 121 Ų | 121 | 132 Ų | 132 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -95 | 116.2 | -176.3 | 51.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 30 | V | 46.5 | Very low | 46.9 | Very low | 134 Ų | 134 | 134.6 Ų | 134.6 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | trans | -156.5 | 148 | 158 | -108.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 31 | Q | 38.7 | Very low | 47.3 | Very low | 191 Ų | 191 | 133.2 Ų | 133.2 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | trans | 63 | 99.1 | 163.7 | -68.1 | 172.9 | -28.1 | 0 | 0 | 117 | ||||
| 32 | A | 40.4 | Very low | 47.8 | Very low | 109 Ų | 109 | 132.4 Ų | 132.4 | 90% | 0.901 | 78% | 0.782 | S | S | * | * | trans | -85 | 145.1 | 153.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 33 | D | 45 | Very low | 48.1 | Very low | 146 Ų | 146 | 129 Ų | 129 | 78% | 0.781 | 76% | 0.763 | S | S | * | * | trans | -147.1 | 145.1 | 161.8 | -175.3 | 22.1 | 0 | 0 | 0 | 109.5 | ||||
| 34 | S | 47.7 | Very low | 48.8 | Very low | 110 Ų | 110 | 132.6 Ų | 132.6 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | 22.2 | 105.7 | 162.1 | -58.3 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 35 | G | 47 | Very low | 49.7 | Very low | 84 Ų | 84 | 130 Ų | 130 | 87% | 0.866 | 78% | 0.78 | S | S | * | * | trans | -91.8 | 158.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 36 | S | 56.7 | Low | 51.4 | Low | 115 Ų | 115 | 126.6 Ų | 126.6 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | -146.2 | 150.4 | 159.7 | -172.3 | 0 | 0 | 0 | 0 | 109.7 | L38 | S36-L38 PolarHBondContact O-N 3.33Š| ||
| 37 | G | 44.9 | Very low | 53.3 | Low | 67 Ų | 67 | 126.8 Ų | 126.8 | 69% | 0.691 | 77% | 0.768 | S | S | * | * | trans | -70.2 | 118.2 | -154.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | V39 | G37-V39 PolarHBondContact O-N 3.27Å; G37-V39 VanDerWaalsContact O-N 3.1Å | ||
| 38 | L | 61.3 | Low | 55.6 | Low | 165 Ų | 165 | 124.3 Ų | 124.3 | 86% | 0.864 | 74% | 0.741 | S | S | * | * | trans | -77.7 | 84.1 | 164.7 | -76.9 | 173.6 | 0 | 0 | 0 | 111.3 | S36 L40 | S36-L38 PolarHBondContact O-N 3.33Å; L38-L40 PolarHBondContact O-N 2.92Å | ||
| 39 | V | 53.8 | Low | 57.7 | Low | 100 Ų | 100 | 123.6 Ų | 123.6 | 61% | 0.606 | 73% | 0.73 | S | S | * | * | trans | -75.3 | 104 | 171.2 | 177.8 | 0 | 0 | 0 | 0 | 110.2 | G37 T41 R49 | G37-V39 PolarHBondContact O-N 3.27Å; G37-V39 VanDerWaalsContact O-N 3.1Å; V39-T41 PolarHBondContact O-N 3.16Å; V39-T41 VanDerWaalsContact O-N 3.07Å; V39-R49 PolarHBondContact O-NH1 3.43Å | ||
| 40 | L | 51.3 | Low | 60.2 | Low | 161 Ų | 161 | 121.4 Ų | 121.4 | 84% | 0.843 | 70% | 0.704 | S | S | * | * | trans | -71.3 | 92.6 | 178.1 | -60.7 | 178 | 0 | 0 | 0 | 111.6 | L38 | L38-L40 PolarHBondContact O-N 2.92Š| ||
| 41 | T | 55.8 | Low | 62.5 | Low | 82 Ų | 82 | 118.1 Ų | 118.1 | 50% | 0.503 | 68% | 0.684 | S | S | . | * | trans | -78 | 144.9 | 162.7 | 45.5 | 0 | 0 | 0 | 0 | 110.3 | V39 D43 | V39-T41 PolarHBondContact O-N 3.16Å; V39-T41 VanDerWaalsContact O-N 3.07Å; T41-D43 PolarHBondContact O-N 3.49Å | ||
| 42 | T | 56.4 | Low | 65.1 | Low | 146 Ų | 146 | 114.2 Ų | 114.2 | 90% | 0.896 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -67.2 | 81.5 | -167.1 | 51.8 | 0 | 0 | 0 | 0 | 114.7 | ||
| 43 | D | 50.7 | Low | 67.6 | Low | 70 Ų | 70 | 115.2 Ų | 115.2 | 37% | 0.374 | 66% | 0.66 | S | S | . | * | trans | -141.5 | 129.1 | 165.8 | -94.6 | -85.8 | 0 | 0 | 0 | 109.2 | T41 K45 R47 | T41-D43 PolarHBondContact O-N 3.49Å; D43-K45 WeakPolarHBondContact CB-O 3.28Å; D43-K45 PolarHBondContact O-N 3.07Å; D43-R47 HydrophobicContact CB-CG 4.39Å; D43-R47 WeakPolarHBondContact OD1-CD 3.26Å; D43-R47 IonicContact OD1-NH1 3.58Å; D43-R47 WeakPolarHBondContact OD2-CD 3.33Å; D43-R47 IonicContact OD2-CZ 3.02Å; D43-R47 IonicContact OD2-NE 2.77Å; D43-R47 IonicContact OD2-NH1 3.89Å; D43-R47 PolarHBondContact OD2-NH1 2.68Å | ||
| 44 | P | 63.8 | Low | 70 | Confident | 143 Ų | 143 | 110.1 Ų | 110.1 | 93% | 0.929 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -70.7 | -0.2 | 177.5 | 30.3 | -35.6 | 0 | 0 | 0 | 113.4 | ||
| 45 | K | 67.7 | Low | 72.3 | Confident | 162 Ų | 162 | 107.6 Ų | 107.6 | 70% | 0.704 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -117.8 | 124.2 | 169.5 | -157.4 | 77.7 | 172.3 | -171.8 | 0 | 107.8 | D43 R47 | D43-K45 WeakPolarHBondContact CB-O 3.28Å; D43-K45 PolarHBondContact O-N 3.07Å; K45-R47 PolarHBondContact O-N 3.23Å |
| 46 | P | 79.6 | Confident | 74.7 | Confident | 127 Ų | 127 | 109 Ų | 109 | 83% | 0.825 | 59% | 0.592 | S | S | * | * | trans | -64.6 | 101.4 | 179 | 25.5 | -33.7 | 0 | 0 | 0 | 110.5 | ||||
| 47 | R | 83.2 | Confident | 76.5 | Confident | 174 Ų | 174 | 111.3 Ų | 111.3 | 66% | 0.657 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 131.4 | 176.6 | -70.7 | 165.5 | 75.3 | 175 | 5.2 | 109.3 | D43 K45 R49 | D43-R47 HydrophobicContact CB-CG 4.39Å; D43-R47 WeakPolarHBondContact OD1-CD 3.26Å; D43-R47 IonicContact OD1-NH1 3.58Å; D43-R47 WeakPolarHBondContact OD2-CD 3.33Å; D43-R47 IonicContact OD2-CZ 3.02Å; D43-R47 IonicContact OD2-NE 2.77Å; D43-R47 IonicContact OD2-NH1 3.89Å; D43-R47 PolarHBondContact OD2-NH1 2.68Å; K45-R47 PolarHBondContact O-N 3.23Å; R47-R49 PolarHBondContact O-N 2.63Å |
| 48 | L | 90 | Very high | 79 | Confident | 53 Ų | 53 | 108.1 Ų | 108.1 | 28% | 0.277 | 55% | 0.55 | S | S | . | * | P | Polyproline II helix | trans | -64.4 | 119.5 | 176.5 | -175.4 | 142.4 | 0 | 0 | 0 | 110.1 | W50 L85 H89 | L48-W50 HydrophobicContact CD2-CD2 3.93Å; L48-W50 HydrophobicContact CD2-CG 4.04Å; L48-W50 HydrophobicContact CD2-CZ2 4.27Å; L48-L85 HydrophobicContact CD1-CD1 3.66Å; L48-H89 WeakPolarHBondContact CD1-ND1 3.35Å |
| 49 | R | 90.7 | Very high | 80.7 | Confident | 135 Ų | 135 | 102.4 Ų | 102.4 | 51% | 0.509 | 52% | 0.522 | S | S | . | . | P | Polyproline II helix | trans | -87.8 | 125.9 | 169.6 | -63.1 | 177.3 | 68.7 | 159.1 | 1.2 | 108.1 | V39 R47 T51 | V39-R49 PolarHBondContact O-NH1 3.43Å; R47-R49 PolarHBondContact O-N 2.63Å; R49-T51 PolarHBondContact O-N 2.93Å; R49-T51 VanDerWaalsContact O-N 3.16Å |
| 50 | W | 93.5 | Very high | 82.7 | Confident | 75 Ų | 75 | 101.3 Ų | 101.3 | 28% | 0.284 | 51% | 0.513 | S | S | . | . | trans | -77.4 | 96.8 | 171.4 | -76 | 100.3 | 0 | 0 | 0 | 108.9 | L48 L54 F58 M80 L85 H89 L90 H93 | L48-W50 HydrophobicContact CD2-CD2 3.93Å; L48-W50 HydrophobicContact CD2-CG 4.04Å; L48-W50 HydrophobicContact CD2-CZ2 4.27Å; W50-L54 HydrophobicContact CE3-CB 4.06Å; W50-L54 HydrophobicContact CZ3-CB 4.31Å; W50-F58 HydrophobicContact CH2-CD2 4.31Å; W50-F58 HydrophobicContact CZ3-CB 4.1Å; W50-F58 HydrophobicContact CZ3-CG 4.45Å; W50-M80 HydrophobicContact CZ3-CE 4.36Å; W50-L85 HydrophobicContact CH2-CD1 4.14Å; W50-L85 HydrophobicContact CZ2-CD1 4.39Å; W50-H89 HydrophobicContact CZ2-CB 4.34Å; W50-L90 HydrophobicContact CH2-CD2 4.09Å; W50-H93 AromaticContact CE2-CD2 3.85Å; W50-H93 AromaticContact CE2-CG 3.57Å; W50-H93 AromaticContact CE2-ND1 4Å; W50-H93 HydrophobicContact CH2-CB 4.18Å; W50-H93 AromaticContact CH2-CD2 3.71Å; W50-H93 HydrophobicContact CZ2-CB 3.43Å; W50-H93 VanDerWaalsContact CZ2-CB 3.43Å; W50-H93 AromaticContact CZ2-CD2 3.71Å; W50-H93 AromaticContact CZ2-CG 3.6Å; W50-H93 AromaticContact CZ3-CD2 3.85Å; W50-H93 AromaticContact NE1-CG 3.88Å; W50-H93 AromaticContact NE1-ND1 3.97Å | ||
| 51 | T | 93.4 | Very high | 84.9 | Confident | 65 Ų | 65 | 93.7 Ų | 93.7 | 40% | 0.399 | 47% | 0.473 | S | S | . | . | trans | -72.3 | 162.5 | 168.4 | 59.2 | 0 | 0 | 0 | 0 | 110.4 | R49 E53 L54 H55 | R49-T51 PolarHBondContact O-N 2.93Å; R49-T51 VanDerWaalsContact O-N 3.16Å; T51-E53 VanDerWaalsContact C-N 3.34Å; T51-E53 PolarHBondContact O-N 3.19Å; T51-L54 PolarHBondContact O-N 2.99Å; T51-L54 WeakPolarHBondContact OG1-CB 3.5Å; T51-L54 WeakPolarHBondContact OG1-CG 3.47Å; T51-L54 PolarHBondContact OG1-N 3.5Å; T51-H55 PolarHBondContact O-N 2.89Å | ||
| 52 | V | 93.5 | Very high | 86.8 | Confident | 109 Ų | 109 | 89.9 Ų | 89.9 | 66% | 0.661 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -58.1 | -48.2 | 176 | -177.7 | 0 | 0 | 0 | 0 | 110.2 | L54 H55 E56 | V52-L54 VanDerWaalsContact C-N 3.33Å; V52-L54 PolarHBondContact O-N 3.28Å; V52-H55 CarbonylContact O-C 3.53Å; V52-H55 WeakPolarHBondContact O-CA 3.41Å; V52-H55 WeakPolarHBondContact O-CB 3.43Å; V52-H55 PolarHBondContact O-N 3.44Å; V52-E56 HydrophobicContact CG1-CG 4.25Å; V52-E56 WeakPolarHBondContact O-CG 3.14Å; V52-E56 PolarHBondContact O-N 2.89Å |
| 53 | E | 94.2 | Very high | 88.7 | Confident | 131 Ų | 131 | 87.6 Ų | 87.6 | 61% | 0.612 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -52.3 | -45.5 | 174.9 | -59.1 | 167.9 | -172.3 | 0 | 0 | 113.2 | T51 H55 R57 | T51-E53 VanDerWaalsContact C-N 3.34Å; T51-E53 PolarHBondContact O-N 3.19Å; E53-H55 VanDerWaalsContact C-N 3.31Å; E53-H55 PolarHBondContact O-N 3.02Å; E53-R57 VanDerWaalsContact O-CG 3.26Å; E53-R57 WeakPolarHBondContact O-CG 3.32Å; E53-R57 PolarHBondContact O-N 3.35Å; E53-R57 VanDerWaalsContact O-N 3.12Å |
| 54 | L | 95.5 | Very high | 90.8 | Very high | 39 Ų | 39 | 91 Ų | 91 | 20% | 0.204 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -70.4 | -29 | 177.4 | -74 | 175.4 | 0 | 0 | 0 | 112.3 | W50 T51 V52 F58 M80 V82 | W50-L54 HydrophobicContact CE3-CB 4.06Å; W50-L54 HydrophobicContact CZ3-CB 4.31Å; T51-L54 PolarHBondContact O-N 2.99Å; T51-L54 WeakPolarHBondContact OG1-CB 3.5Å; T51-L54 WeakPolarHBondContact OG1-CG 3.47Å; T51-L54 PolarHBondContact OG1-N 3.5Å; V52-L54 VanDerWaalsContact C-N 3.33Å; V52-L54 PolarHBondContact O-N 3.28Å; L54-F58 WeakPolarHBondContact O-CB 3.3Å; L54-F58 PolarHBondContact O-N 2.87Å; L54-M80 WeakPolarHBondContact O-CE 3.46Å; L54-V82 HydrophobicContact CD2-CG1 4.17Å; L54-V82 HydrophobicContact CD2-CG2 4.01Å |
| 55 | H | 96.2 | Very high | 92.4 | Very high | 57 Ų | 57 | 86.5 Ų | 86.5 | 26% | 0.264 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -72.9 | -43.9 | 174.6 | -167 | 101.6 | 0 | 0 | 0 | 111.7 | T51 V52 E53 F58 V59 H93 | T51-H55 PolarHBondContact O-N 2.89Å; V52-H55 CarbonylContact O-C 3.53Å; V52-H55 WeakPolarHBondContact O-CA 3.41Å; V52-H55 WeakPolarHBondContact O-CB 3.43Å; V52-H55 PolarHBondContact O-N 3.44Å; E53-H55 VanDerWaalsContact C-N 3.31Å; E53-H55 PolarHBondContact O-N 3.02Å; H55-F58 CarbonylContact O-C 3.57Å; H55-F58 WeakPolarHBondContact O-CA 3.36Å; H55-F58 WeakPolarHBondContact O-CB 3.22Å; H55-F58 PolarHBondContact O-N 3.09Å; H55-F58 VanDerWaalsContact O-N 3.1Å; H55-V59 WeakPolarHBondContact NE2-CG2 3.49Å; H55-V59 WeakPolarHBondContact O-CG2 3.44Å; H55-V59 PolarHBondContact O-N 3.39Å; H55-H93 AromaticContact CE1-CE1 3.83Å; H55-H93 AromaticContact CE1-NE2 3.63Å; H55-H93 AromaticContact ND1-CE1 3.62Å; H55-H93 AromaticContact ND1-NE2 3.36Å; H55-H93 PolarHBondContact ND1-NE2 3.37Å |
| 56 | E | 95.6 | Very high | 93.6 | Very high | 112 Ų | 112 | 81.4 Ų | 81.4 | 52% | 0.523 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -58.2 | -51.9 | 175.5 | -70.6 | 170.2 | 159.9 | 0 | 0 | 110.6 | V52 F58 V59 D60 | V52-E56 HydrophobicContact CG1-CG 4.25Å; V52-E56 WeakPolarHBondContact O-CG 3.14Å; V52-E56 PolarHBondContact O-N 2.89Å; E56-F58 PolarHBondContact O-N 2.92Å; E56-F58 VanDerWaalsContact O-N 3.15Å; E56-V59 PolarHBondContact O-N 2.99Å; E56-D60 WeakPolarHBondContact O-CB 3.35Å; E56-D60 PolarHBondContact O-N 3.3Å |
| 57 | R | 95.7 | Very high | 94.2 | Very high | 165 Ų | 165 | 76.3 Ų | 76.3 | 62% | 0.623 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -57.7 | -30.6 | 174.7 | -64.9 | -63 | -170.9 | -176 | 2.7 | 113.2 | E53 A61 M80 | E53-R57 VanDerWaalsContact O-CG 3.26Å; E53-R57 WeakPolarHBondContact O-CG 3.32Å; E53-R57 PolarHBondContact O-N 3.35Å; E53-R57 VanDerWaalsContact O-N 3.12Å; R57-A61 VanDerWaalsContact O-CB 3.27Å; R57-A61 WeakPolarHBondContact O-CB 3.37Å; R57-A61 PolarHBondContact O-N 3.39Å; R57-M80 HydrophobicContact CB-CE 3.98Å |
| 58 | F | 97.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -74.6 | -43 | 174.8 | 167.2 | -87.9 | 0 | 0 | 0 | 111.9 | W50 L54 H55 E56 A61 V62 I76 M80 L90 H93 L94 F97 | W50-F58 HydrophobicContact CH2-CD2 4.31Å; W50-F58 HydrophobicContact CZ3-CB 4.1Å; W50-F58 HydrophobicContact CZ3-CG 4.45Å; L54-F58 WeakPolarHBondContact O-CB 3.3Å; L54-F58 PolarHBondContact O-N 2.87Å; H55-F58 CarbonylContact O-C 3.57Å; H55-F58 WeakPolarHBondContact O-CA 3.36Å; H55-F58 WeakPolarHBondContact O-CB 3.22Å; H55-F58 PolarHBondContact O-N 3.09Å; H55-F58 VanDerWaalsContact O-N 3.1Å; E56-F58 PolarHBondContact O-N 2.92Å; E56-F58 VanDerWaalsContact O-N 3.15Å; F58-A61 PolarHBondContact O-N 3.4Å; F58-V62 HydrophobicContact CD1-CG2 4.39Å; F58-V62 HydrophobicContact CD2-CG2 4.43Å; F58-V62 HydrophobicContact CE1-CG2 3.96Å; F58-V62 HydrophobicContact CE2-CG2 4.02Å; F58-V62 HydrophobicContact CZ-CG2 3.75Å; F58-V62 WeakPolarHBondContact O-CB 3.27Å; F58-V62 VanDerWaalsContact O-CG2 3.32Å; F58-V62 WeakPolarHBondContact O-CG2 3.47Å; F58-V62 PolarHBondContact O-N 3.43Å; F58-I76 HydrophobicContact CD2-CG2 3.85Å; F58-I76 HydrophobicContact CE2-CD1 4.04Å; F58-I76 HydrophobicContact CE2-CG2 4.21Å; F58-M80 HydrophobicContact CB-CE 3.86Å; F58-M80 HydrophobicContact CB-SD 3.83Å; F58-M80 HydrophobicContact CD2-SD 4.21Å; F58-L90 HydrophobicContact CD2-CD2 3.81Å; F58-L90 HydrophobicContact CE2-CD2 4.12Å; F58-H93 AromaticContact CD1-CD2 3.63Å; F58-H93 AromaticContact CD1-NE2 3.69Å; F58-H93 AromaticContact CD2-CD2 3.81Å; F58-H93 AromaticContact CE1-CD2 3.58Å; F58-H93 AromaticContact CE1-NE2 3.79Å; F58-H93 AromaticContact CE2-CD2 3.74Å; F58-H93 AromaticContact CG-CD2 3.76Å; F58-H93 AromaticContact CZ-CD2 3.64Å; F58-L94 HydrophobicContact CE2-CB 4.37Å; F58-L94 HydrophobicContact CZ-CB 4.28Å; F58-L94 HydrophobicContact CZ-CD1 4.08Å; F58-F97 HydrophobicContact CE1-CB 3.99Å; F58-F97 AromaticContact CE1-CD1 3.99Å; F58-F97 HydrophobicContact CE1-CD1 3.99Å; F58-F97 AromaticContact CE1-CD2 3.78Å; F58-F97 HydrophobicContact CE1-CD2 3.78Å; F58-F97 HydrophobicContact CE1-CE1 4.42Å; F58-F97 HydrophobicContact CE1-CE2 4.2Å; F58-F97 AromaticContact CE1-CG 3.66Å; F58-F97 HydrophobicContact CE1-CG 3.66Å; F58-F97 HydrophobicContact CZ-CB 4.11Å; F58-F97 HydrophobicContact CZ-CD1 4.37Å; F58-F97 HydrophobicContact CZ-CG 4.17Å |
| 59 | V | 96.5 | Very high | 94.9 | Very high | 44 Ų | 44 | 73.3 Ų | 73.3 | 27% | 0.267 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.4 | -43 | 177 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | H55 E56 A61 V62 T63 F97 | H55-V59 WeakPolarHBondContact NE2-CG2 3.49Å; H55-V59 WeakPolarHBondContact O-CG2 3.44Å; H55-V59 PolarHBondContact O-N 3.39Å; E56-V59 PolarHBondContact O-N 2.99Å; V59-A61 VanDerWaalsContact C-N 3.35Å; V59-A61 PolarHBondContact O-N 3.32Å; V59-V62 PolarHBondContact O-N 2.9Å; V59-T63 VanDerWaalsContact O-CB 3.28Å; V59-T63 WeakPolarHBondContact O-CB 3.48Å; V59-T63 PolarHBondContact O-N 3.16Å; V59-T63 PolarHBondContact O-OG1 3.38Å; V59-F97 HydrophobicContact CG2-CE2 3.83Å; V59-F97 HydrophobicContact CG2-CZ 4.05Å |
| 60 | D | 96.5 | Very high | 95 | Very high | 78 Ų | 78 | 74.5 Ų | 74.5 | 42% | 0.417 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -53.3 | -51.6 | 170.2 | -76.1 | -17 | 0 | 0 | 0 | 111 | E56 V62 T63 Q64 | E56-D60 WeakPolarHBondContact O-CB 3.35Å; E56-D60 PolarHBondContact O-N 3.3Å; D60-V62 PolarHBondContact O-N 3.29Å; D60-T63 PolarHBondContact O-N 3.13Å; D60-Q64 WeakPolarHBondContact O-CB 3.34Å; D60-Q64 VanDerWaalsContact O-CG 3.31Å; D60-Q64 WeakPolarHBondContact O-CG 3.44Å; D60-Q64 PolarHBondContact O-N 2.99Å |
| 61 | A | 97 | Very high | 95.1 | Very high | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.5 | -40.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R57 F58 V59 T63 L65 I76 V79 M80 | R57-A61 VanDerWaalsContact O-CB 3.27Å; R57-A61 WeakPolarHBondContact O-CB 3.37Å; R57-A61 PolarHBondContact O-N 3.39Å; F58-A61 PolarHBondContact O-N 3.4Å; V59-A61 VanDerWaalsContact C-N 3.35Å; V59-A61 PolarHBondContact O-N 3.32Å; A61-T63 VanDerWaalsContact C-N 3.35Å; A61-L65 WeakPolarHBondContact O-CB 3.5Å; A61-L65 VanDerWaalsContact O-CD1 3.29Å; A61-L65 WeakPolarHBondContact O-CD1 3.38Å; A61-L65 WeakPolarHBondContact O-CG 3.4Å; A61-L65 PolarHBondContact O-N 3.33Å; A61-L65 VanDerWaalsContact O-N 3.15Å; A61-I76 HydrophobicContact CB-CG2 4.03Å; A61-V79 HydrophobicContact CB-CB 3.92Å; A61-V79 HydrophobicContact CB-CG1 3.61Å; A61-M80 HydrophobicContact CB-CG 3.89Å |
| 62 | V | 97 | Very high | 95.3 | Very high | 2 Ų | 2 | 70.7 Ų | 70.7 | 1% | 0.012 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66.8 | -37.3 | 175 | 169.7 | 0 | 0 | 0 | 0 | 111.3 | F58 V59 D60 L65 G66 G67 P68 A71 I76 L94 F97 | F58-V62 HydrophobicContact CD1-CG2 4.39Å; F58-V62 HydrophobicContact CD2-CG2 4.43Å; F58-V62 HydrophobicContact CE1-CG2 3.96Å; F58-V62 HydrophobicContact CE2-CG2 4.02Å; F58-V62 HydrophobicContact CZ-CG2 3.75Å; F58-V62 WeakPolarHBondContact O-CB 3.27Å; F58-V62 VanDerWaalsContact O-CG2 3.32Å; F58-V62 WeakPolarHBondContact O-CG2 3.47Å; F58-V62 PolarHBondContact O-N 3.43Å; V59-V62 PolarHBondContact O-N 2.9Å; D60-V62 PolarHBondContact O-N 3.29Å; V62-L65 PolarHBondContact O-N 3.43Å; V62-G66 PolarHBondContact O-N 3.04Å; V62-G67 WeakPolarHBondContact O-CA 3.4Å; V62-G67 PolarHBondContact O-N 3.38Å; V62-P68 HydrophobicContact CG1-CB 4.29Å; V62-A71 HydrophobicContact CB-CB 4.31Å; V62-A71 HydrophobicContact CG1-CB 4.1Å; V62-A71 HydrophobicContact CG2-CB 4.05Å; V62-I76 HydrophobicContact CG2-CD1 3.72Å; V62-I76 HydrophobicContact CG2-CG1 4.08Å; V62-L94 HydrophobicContact CG2-CD1 4.23Å; V62-F97 HydrophobicContact CG1-CD1 4.44Å; V62-F97 HydrophobicContact CG1-CE1 3.86Å |
| 63 | T | 95.1 | Very high | 95.4 | Very high | 98 Ų | 98 | 67.1 Ų | 67.1 | 60% | 0.601 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -67.9 | -47.6 | 178.4 | -58 | 0 | 0 | 0 | 0 | 111.1 | V59 D60 A61 L65 G66 | V59-T63 VanDerWaalsContact O-CB 3.28Å; V59-T63 WeakPolarHBondContact O-CB 3.48Å; V59-T63 PolarHBondContact O-N 3.16Å; V59-T63 PolarHBondContact O-OG1 3.38Å; D60-T63 PolarHBondContact O-N 3.13Å; A61-T63 VanDerWaalsContact C-N 3.35Å; T63-L65 PolarHBondContact O-N 2.87Å; T63-G66 PolarHBondContact O-N 3.42Å |
| 64 | Q | 95.5 | Very high | 95.6 | Very high | 143 Ų | 143 | 68 Ų | 68 | 67% | 0.668 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -58.1 | -28.8 | 172.6 | -72.2 | 172.6 | 52.5 | 0 | 0 | 113.2 | D60 G66 | D60-Q64 WeakPolarHBondContact O-CB 3.34Å; D60-Q64 VanDerWaalsContact O-CG 3.31Å; D60-Q64 WeakPolarHBondContact O-CG 3.44Å; D60-Q64 PolarHBondContact O-N 2.99Å; Q64-G66 VanDerWaalsContact C-N 3.31Å |
| 65 | L | 95.9 | Very high | 95.6 | Very high | 48 Ų | 48 | 68.2 Ų | 68.2 | 25% | 0.251 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 9.5 | 177.9 | -69.9 | 168.5 | 0 | 0 | 0 | 114.1 | A61 V62 T63 K70 A71 T75 I76 V79 | A61-L65 WeakPolarHBondContact O-CB 3.5Å; A61-L65 VanDerWaalsContact O-CD1 3.29Å; A61-L65 WeakPolarHBondContact O-CD1 3.38Å; A61-L65 WeakPolarHBondContact O-CG 3.4Å; A61-L65 PolarHBondContact O-N 3.33Å; A61-L65 VanDerWaalsContact O-N 3.15Å; V62-L65 PolarHBondContact O-N 3.43Å; T63-L65 PolarHBondContact O-N 2.87Å; L65-K70 VanDerWaalsContact O-CB 3.27Å; L65-K70 WeakPolarHBondContact O-CB 3.49Å; L65-A71 HydrophobicContact CB-CB 3.75Å; L65-A71 HydrophobicContact CD1-CB 3.94Å; L65-T75 WeakPolarHBondContact CD1-OG1 3.49Å; L65-T75 HydrophobicContact CD2-CG2 4.48Å; L65-I76 HydrophobicContact CD1-CB 4.38Å; L65-I76 HydrophobicContact CD1-CG1 3.62Å; L65-V79 HydrophobicContact CD1-CG2 4.49Å |
| 66 | G | 93.4 | Very high | 95.7 | Very high | 55 Ų | 55 | 65.5 Ų | 65.5 | 57% | 0.567 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.8 | 27.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | V62 T63 Q64 K70 | V62-G66 PolarHBondContact O-N 3.04Å; T63-G66 PolarHBondContact O-N 3.42Å; Q64-G66 VanDerWaalsContact C-N 3.31Å; G66-K70 WeakPolarHBondContact O-CG 3.3Å |
| 67 | G | 93.5 | Very high | 95.7 | Very high | 19 Ų | 19 | 63.6 Ų | 63.6 | 20% | 0.196 | 34% | 0.338 | C | S | . | . | S | Bend | trans | 92.9 | 173.7 | 174 | 0 | 0 | 0 | 0 | 0 | 115 | V62 D69 K70 A71 | V62-G67 WeakPolarHBondContact O-CA 3.4Å; V62-G67 PolarHBondContact O-N 3.38Å; G67-D69 VanDerWaalsContact C-N 3.3Å; G67-D69 PolarHBondContact O-N 3.3Å; G67-K70 PolarHBondContact O-N 3.42Å; G67-A71 WeakPolarHBondContact O-CB 3.44Å; G67-A71 PolarHBondContact O-N 3.3Å |
| 68 | P | 93.7 | Very high | 95.7 | Very high | 41 Ų | 41 | 65.4 Ų | 65.4 | 27% | 0.266 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -37 | -167.6 | 21.8 | -33.9 | 0 | 0 | 0 | 113.8 | V62 F97 R98 | V62-P68 HydrophobicContact CG1-CB 4.29Å; P68-F97 HydrophobicContact CB-CD1 3.91Å; P68-F97 HydrophobicContact CB-CE1 4.04Å; P68-R98 HydrophobicContact CB-CG 3.97Å; P68-R98 VanDerWaalsContact O-CZ 3.22Å; P68-R98 PolarHBondContact O-NE 3.45Å; P68-R98 PolarHBondContact O-NH2 3.18Å |
| 69 | D | 93.3 | Very high | 95.6 | Very high | 124 Ų | 124 | 68.4 Ų | 68.4 | 66% | 0.663 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -30.2 | -177 | -56.6 | -59.5 | 0 | 0 | 0 | 113.2 | G67 R98 | G67-D69 VanDerWaalsContact C-N 3.3Å; G67-D69 PolarHBondContact O-N 3.3Å; D69-R98 PolarHBondContact O-NH2 3.12Å; D69-R98 VanDerWaalsContact O-NH2 3.13Å |
| 70 | K | 93.9 | Very high | 95.6 | Very high | 159 Ų | 159 | 67.3 Ų | 67.3 | 69% | 0.691 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -35.9 | 179.5 | -57.4 | -55.2 | -176 | -174.4 | 0 | 112.4 | L65 G66 G67 | L65-K70 VanDerWaalsContact O-CB 3.27Å; L65-K70 WeakPolarHBondContact O-CB 3.49Å; G66-K70 WeakPolarHBondContact O-CG 3.3Å; G67-K70 PolarHBondContact O-N 3.42Å |
| 71 | A | 95.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 36% | 0.363 | C | S | . | . | trans | -60.9 | 142.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V62 L65 G67 I76 R98 | V62-A71 HydrophobicContact CB-CB 4.31Å; V62-A71 HydrophobicContact CG1-CB 4.1Å; V62-A71 HydrophobicContact CG2-CB 4.05Å; L65-A71 HydrophobicContact CB-CB 3.75Å; L65-A71 HydrophobicContact CD1-CB 3.94Å; G67-A71 WeakPolarHBondContact O-CB 3.44Å; G67-A71 PolarHBondContact O-N 3.3Å; A71-I76 HydrophobicContact CB-CD1 3.89Å; A71-I76 HydrophobicContact CB-CG1 3.97Å; A71-R98 PolarHBondContact O-NH2 2.92Å | ||
| 72 | T | 96.4 | Very high | 95.2 | Very high | 60 Ų | 60 | 68.9 Ų | 68.9 | 37% | 0.368 | 38% | 0.379 | S | S | . | . | trans | -123.3 | 151.2 | 177.4 | 77 | 0 | 0 | 0 | 0 | 110.1 | K74 T75 I76 | T72-K74 PolarHBondContact O-N 2.74Å; T72-K74 VanDerWaalsContact O-N 3.1Å; T72-T75 PolarHBondContact N-OG1 3.41Å; T72-T75 VanDerWaalsContact N-OG1 3.12Å; T72-T75 PolarHBondContact O-N 3.17Å; T72-T75 PolarHBondContact O-OG1 3.01Å; T72-T75 VanDerWaalsContact O-OG1 3.09Å; T72-T75 PolarHBondContact OG1-N 3.44Å; T72-T75 VanDerWaalsContact OG1-N 3.16Å; T72-T75 PolarHBondContact OG1-OG1 2.89Å; T72-I76 VanDerWaalsContact O-CG1 3.28Å; T72-I76 WeakPolarHBondContact O-CG1 3.47Å; T72-I76 PolarHBondContact O-N 2.94Å | ||
| 73 | P | 96.7 | Very high | 94.9 | Very high | 35 Ų | 35 | 78.6 Ų | 78.6 | 23% | 0.227 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -56.4 | -32.9 | 179.4 | -27.4 | 36.5 | 0 | 0 | 0 | 113.4 | M77 L87 L90 K91 L94 | P73-M77 VanDerWaalsContact O-CB 3.3Å; P73-M77 WeakPolarHBondContact O-CB 3.44Å; P73-M77 PolarHBondContact O-N 3.36Å; P73-M77 VanDerWaalsContact O-N 3.09Å; P73-L87 HydrophobicContact CB-CD2 4.28Å; P73-L87 WeakPolarHBondContact O-CD2 3.35Å; P73-L90 HydrophobicContact CB-CB 4.16Å; P73-K91 HydrophobicContact CG-CB 4.25Å; P73-L94 HydrophobicContact CG-CD2 3.93Å |
| 74 | K | 97.1 | Very high | 94.6 | Very high | 150 Ų | 150 | 77.2 Ų | 77.2 | 65% | 0.652 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -71 | -37.3 | 176.4 | -68.8 | -172.1 | -178.7 | -175.9 | 0 | 113.3 | T72 L87 | T72-K74 PolarHBondContact O-N 2.74Å; T72-K74 VanDerWaalsContact O-N 3.1Å; K74-L87 HydrophobicContact CB-CD2 4.47Å; K74-L87 HydrophobicContact CG-CD1 4.24Å; K74-L87 HydrophobicContact CG-CD2 3.98Å |
| 75 | T | 96.6 | Very high | 94.5 | Very high | 42 Ų | 42 | 70.8 Ų | 70.8 | 26% | 0.258 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -77.6 | -41.9 | 177.7 | 48.1 | 0 | 0 | 0 | 0 | 111.5 | L65 T72 M77 R78 V79 | L65-T75 WeakPolarHBondContact CD1-OG1 3.49Å; L65-T75 HydrophobicContact CD2-CG2 4.48Å; T72-T75 PolarHBondContact N-OG1 3.41Å; T72-T75 VanDerWaalsContact N-OG1 3.12Å; T72-T75 PolarHBondContact O-N 3.17Å; T72-T75 PolarHBondContact O-OG1 3.01Å; T72-T75 VanDerWaalsContact O-OG1 3.09Å; T72-T75 PolarHBondContact OG1-N 3.44Å; T72-T75 VanDerWaalsContact OG1-N 3.16Å; T72-T75 PolarHBondContact OG1-OG1 2.89Å; T75-M77 VanDerWaalsContact C-N 3.33Å; T75-M77 PolarHBondContact O-N 3.49Å; T75-R78 PolarHBondContact O-N 3.38Å; T75-R78 VanDerWaalsContact O-N 3.12Å; T75-V79 WeakPolarHBondContact O-CG2 3.41Å; T75-V79 PolarHBondContact O-N 3.28Å |
| 76 | I | 97.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -58.8 | -44.5 | 175.1 | -59.2 | 161.6 | 0 | 0 | 0 | 110.6 | F58 A61 V62 L65 A71 T72 R78 V79 M80 L90 L94 | F58-I76 HydrophobicContact CD2-CG2 3.85Å; F58-I76 HydrophobicContact CE2-CD1 4.04Å; F58-I76 HydrophobicContact CE2-CG2 4.21Å; A61-I76 HydrophobicContact CB-CG2 4.03Å; V62-I76 HydrophobicContact CG2-CD1 3.72Å; V62-I76 HydrophobicContact CG2-CG1 4.08Å; L65-I76 HydrophobicContact CD1-CB 4.38Å; L65-I76 HydrophobicContact CD1-CG1 3.62Å; A71-I76 HydrophobicContact CB-CD1 3.89Å; A71-I76 HydrophobicContact CB-CG1 3.97Å; T72-I76 VanDerWaalsContact O-CG1 3.28Å; T72-I76 WeakPolarHBondContact O-CG1 3.47Å; T72-I76 PolarHBondContact O-N 2.94Å; I76-R78 PolarHBondContact O-N 3.02Å; I76-V79 PolarHBondContact O-N 3.35Å; I76-V79 VanDerWaalsContact O-N 3.16Å; I76-M80 HydrophobicContact CG2-CG 4Å; I76-M80 HydrophobicContact CG2-SD 3.65Å; I76-M80 WeakPolarHBondContact O-CB 3.45Å; I76-M80 WeakPolarHBondContact O-CG 3Å; I76-M80 PolarHBondContact O-N 2.92Å; I76-L90 HydrophobicContact CB-CD2 4.34Å; I76-L90 HydrophobicContact CG2-CD2 3.62Å; I76-L94 HydrophobicContact CD1-CB 4.47Å; I76-L94 HydrophobicContact CD1-CD1 3.85Å; I76-L94 HydrophobicContact CD1-CD2 3.79Å; I76-L94 HydrophobicContact CD1-CG 4.24Å |
| 77 | M | 96.2 | Very high | 94.5 | Very high | 73 Ų | 73 | 72 Ų | 72 | 36% | 0.36 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -57.4 | -37.4 | 177.4 | -164.8 | 177.8 | 74.4 | 0 | 0 | 112.7 | P73 T75 G81 L87 L90 | P73-M77 VanDerWaalsContact O-CB 3.3Å; P73-M77 WeakPolarHBondContact O-CB 3.44Å; P73-M77 PolarHBondContact O-N 3.36Å; P73-M77 VanDerWaalsContact O-N 3.09Å; T75-M77 VanDerWaalsContact C-N 3.33Å; T75-M77 PolarHBondContact O-N 3.49Å; M77-G81 PolarHBondContact O-N 3.42Å; M77-G81 VanDerWaalsContact O-N 3.15Å; M77-L87 HydrophobicContact CB-CD2 4.15Å; M77-L87 HydrophobicContact CE-CD2 3.97Å; M77-L87 HydrophobicContact CE-CG 4.2Å; M77-L87 HydrophobicContact CG-CD2 4.48Å; M77-L87 HydrophobicContact SD-CD2 3.54Å; M77-L87 VanDerWaalsContact SD-CD2 3.54Å; M77-L87 HydrophobicContact SD-CG 3.7Å; M77-L90 VanDerWaalsContact CA-CD1 3.5Å; M77-L90 HydrophobicContact CB-CD1 3.43Å; M77-L90 VanDerWaalsContact CB-CD1 3.43Å; M77-L90 HydrophobicContact CG-CD1 3.82Å |
| 78 | R | 96 | Very high | 94.6 | Very high | 202 Ų | 202 | 79.4 Ų | 79.4 | 76% | 0.762 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -72.9 | -38.9 | 178 | -173.1 | -175.8 | -65.6 | 149.7 | -2.8 | 112.3 | T75 I76 | T75-R78 PolarHBondContact O-N 3.38Å; T75-R78 VanDerWaalsContact O-N 3.12Å; I76-R78 PolarHBondContact O-N 3.02Å |
| 79 | V | 95.7 | Very high | 94.7 | Very high | 63 Ų | 63 | 79.5 Ų | 79.5 | 38% | 0.382 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -72.9 | -39.5 | 179.4 | 177.4 | 0 | 0 | 0 | 0 | 111.3 | A61 L65 T75 I76 | A61-V79 HydrophobicContact CB-CB 3.92Å; A61-V79 HydrophobicContact CB-CG1 3.61Å; L65-V79 HydrophobicContact CD1-CG2 4.49Å; T75-V79 WeakPolarHBondContact O-CG2 3.41Å; T75-V79 PolarHBondContact O-N 3.28Å; I76-V79 PolarHBondContact O-N 3.35Å; I76-V79 VanDerWaalsContact O-N 3.16Å |
| 80 | M | 95.4 | Very high | 94.8 | Very high | 22 Ų | 22 | 73.6 Ų | 73.6 | 11% | 0.108 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -71.8 | -34.6 | 177.5 | -69.6 | -176.9 | 75.1 | 0 | 0 | 113.2 | W50 L54 R57 F58 A61 I76 V82 L85 L90 | W50-M80 HydrophobicContact CZ3-CE 4.36Å; L54-M80 WeakPolarHBondContact O-CE 3.46Å; R57-M80 HydrophobicContact CB-CE 3.98Å; F58-M80 HydrophobicContact CB-CE 3.86Å; F58-M80 HydrophobicContact CB-SD 3.83Å; F58-M80 HydrophobicContact CD2-SD 4.21Å; A61-M80 HydrophobicContact CB-CG 3.89Å; I76-M80 HydrophobicContact CG2-CG 4Å; I76-M80 HydrophobicContact CG2-SD 3.65Å; I76-M80 WeakPolarHBondContact O-CB 3.45Å; I76-M80 WeakPolarHBondContact O-CG 3Å; I76-M80 PolarHBondContact O-N 2.92Å; M80-V82 HydrophobicContact CB-CG2 4.34Å; M80-V82 PolarHBondContact O-N 3.35Å; M80-L85 HydrophobicContact CB-CD2 4.35Å; M80-L85 HydrophobicContact CE-CD2 3.65Å; M80-L85 HydrophobicContact SD-CD2 3.69Å; M80-L90 HydrophobicContact SD-CD2 3.87Å |
| 81 | G | 93.3 | Very high | 94.9 | Very high | 57 Ų | 57 | 72.3 Ų | 72.3 | 59% | 0.588 | 38% | 0.375 | S | S | * | . | trans | 65.3 | -0.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | M77 K83 | M77-G81 PolarHBondContact O-N 3.42Å; M77-G81 VanDerWaalsContact O-N 3.15Å; G81-K83 PolarHBondContact O-N 2.86Å | ||
| 82 | V | 93 | Very high | 94.9 | Very high | 54 Ų | 54 | 74.5 Ų | 74.5 | 33% | 0.327 | 39% | 0.39 | S | S | . | . | trans | -64.8 | 116.7 | -173.2 | 179.2 | 0 | 0 | 0 | 0 | 111.5 | L54 M80 G84 L85 | L54-V82 HydrophobicContact CD2-CG1 4.17Å; L54-V82 HydrophobicContact CD2-CG2 4.01Å; M80-V82 HydrophobicContact CB-CG2 4.34Å; M80-V82 PolarHBondContact O-N 3.35Å; V82-G84 PolarHBondContact O-N 3.01Å; V82-L85 HydrophobicContact CB-CB 3.9Å; V82-L85 HydrophobicContact CB-CD2 4.11Å; V82-L85 HydrophobicContact CG1-CB 4.02Å; V82-L85 WeakPolarHBondContact O-CB 3.45Å; V82-L85 PolarHBondContact O-N 3.48Å | ||
| 83 | K | 89.5 | Confident | 94.9 | Very high | 206 Ų | 206 | 72.7 Ų | 72.7 | 90% | 0.896 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | 132.6 | 174.3 | -64.4 | 176.7 | -177.1 | 172.9 | 0 | 109.9 | G81 L85 | G81-K83 PolarHBondContact O-N 2.86Å; K83-L85 VanDerWaalsContact C-N 3.32Å; K83-L85 PolarHBondContact O-N 3.33Å |
| 84 | G | 89.9 | Confident | 94.8 | Very high | 69 Ų | 69 | 71.2 Ų | 71.2 | 71% | 0.711 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.2 | -11.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | V82 T86 | V82-G84 PolarHBondContact O-N 3.01Å; G84-T86 PolarHBondContact O-N 2.85Å |
| 85 | L | 93 | Very high | 94.7 | Very high | 8 Ų | 8 | 69.4 Ų | 69.4 | 4% | 0.042 | 36% | 0.361 | C | S | . | . | trans | -76.2 | 107.3 | 174.8 | -177.3 | 59.8 | 0 | 0 | 0 | 110.6 | L48 W50 M80 V82 K83 H89 L90 | L48-L85 HydrophobicContact CD1-CD1 3.66Å; W50-L85 HydrophobicContact CH2-CD1 4.14Å; W50-L85 HydrophobicContact CZ2-CD1 4.39Å; M80-L85 HydrophobicContact CB-CD2 4.35Å; M80-L85 HydrophobicContact CE-CD2 3.65Å; M80-L85 HydrophobicContact SD-CD2 3.69Å; V82-L85 HydrophobicContact CB-CB 3.9Å; V82-L85 HydrophobicContact CB-CD2 4.11Å; V82-L85 HydrophobicContact CG1-CB 4.02Å; V82-L85 WeakPolarHBondContact O-CB 3.45Å; V82-L85 PolarHBondContact O-N 3.48Å; K83-L85 VanDerWaalsContact C-N 3.32Å; K83-L85 PolarHBondContact O-N 3.33Å; L85-H89 HydrophobicContact CD1-CB 3.86Å; L85-L90 HydrophobicContact CD1-CG 4.24Å; L85-L90 HydrophobicContact CD2-CD1 4.04Å; L85-L90 HydrophobicContact CD2-CD2 4.12Å; L85-L90 HydrophobicContact CD2-CG 4.12Å; L85-L90 HydrophobicContact CG-CD1 3.99Å; L85-L90 HydrophobicContact CG-CG 4.03Å | ||
| 86 | T | 94.2 | Very high | 94.6 | Very high | 60 Ų | 60 | 74.9 Ų | 74.9 | 37% | 0.368 | 38% | 0.381 | S | S | . | . | trans | -84.1 | 157.3 | -176.8 | 73.8 | 0 | 0 | 0 | 0 | 113.1 | G84 Y88 H89 L90 | G84-T86 PolarHBondContact O-N 2.85Å; T86-Y88 PolarHBondContact O-N 2.87Å; T86-Y88 VanDerWaalsContact O-N 3.15Å; T86-Y88 PolarHBondContact OG1-N 2.78Å; T86-H89 PolarHBondContact O-N 3.47Å; T86-H89 PolarHBondContact OG1-N 3.29Å; T86-H89 PolarHBondContact OG1-ND1 3.19Å; T86-L90 PolarHBondContact O-N 3.05Å | ||
| 87 | L | 95.7 | Very high | 94.4 | Very high | 69 Ų | 69 | 76.1 Ų | 76.1 | 36% | 0.361 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -57.6 | -23.8 | 168.9 | -68.3 | 177.6 | 0 | 0 | 0 | 113.3 | P73 K74 M77 K91 | P73-L87 HydrophobicContact CB-CD2 4.28Å; P73-L87 WeakPolarHBondContact O-CD2 3.35Å; K74-L87 HydrophobicContact CB-CD2 4.47Å; K74-L87 HydrophobicContact CG-CD1 4.24Å; K74-L87 HydrophobicContact CG-CD2 3.98Å; M77-L87 HydrophobicContact CB-CD2 4.15Å; M77-L87 HydrophobicContact CE-CD2 3.97Å; M77-L87 HydrophobicContact CE-CG 4.2Å; M77-L87 HydrophobicContact CG-CD2 4.48Å; M77-L87 HydrophobicContact SD-CD2 3.54Å; M77-L87 VanDerWaalsContact SD-CD2 3.54Å; M77-L87 HydrophobicContact SD-CG 3.7Å; L87-K91 WeakPolarHBondContact O-CB 3.39Å; L87-K91 PolarHBondContact O-N 2.97Å |
| 88 | Y | 94.8 | Very high | 94.4 | Very high | 173 Ų | 173 | 77.5 Ų | 77.5 | 68% | 0.678 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -70.2 | -48.2 | 176.5 | 175 | -98.6 | 0 | 0 | 0 | 111.3 | T86 L90 K91 S92 | T86-Y88 PolarHBondContact O-N 2.87Å; T86-Y88 VanDerWaalsContact O-N 3.15Å; T86-Y88 PolarHBondContact OG1-N 2.78Å; Y88-L90 VanDerWaalsContact C-N 3.3Å; Y88-L90 PolarHBondContact O-N 3.03Å; Y88-K91 PolarHBondContact O-N 3.47Å; Y88-S92 PolarHBondContact O-N 3.42Å; Y88-S92 PolarHBondContact O-OG 3.08Å |
| 89 | H | 95.1 | Very high | 94.1 | Very high | 43 Ų | 43 | 74 Ų | 74 | 20% | 0.199 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -58.7 | -43.7 | 175.3 | -54.2 | 150.3 | 0 | 0 | 0 | 111 | L48 W50 L85 T86 S92 H93 | L48-H89 WeakPolarHBondContact CD1-ND1 3.35Å; W50-H89 HydrophobicContact CZ2-CB 4.34Å; L85-H89 HydrophobicContact CD1-CB 3.86Å; T86-H89 PolarHBondContact O-N 3.47Å; T86-H89 PolarHBondContact OG1-N 3.29Å; T86-H89 PolarHBondContact OG1-ND1 3.19Å; H89-S92 PolarHBondContact O-OG 3.02Å; H89-H93 VanDerWaalsContact O-CB 3.27Å; H89-H93 WeakPolarHBondContact O-CB 3.45Å; H89-H93 PolarHBondContact O-N 3.47Å |
| 90 | L | 96.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -70.6 | -35.7 | 178.6 | -75.7 | 168.3 | 0 | 0 | 0 | 113.5 | W50 F58 P73 I76 M77 M80 L85 T86 Y88 L94 | W50-L90 HydrophobicContact CH2-CD2 4.09Å; F58-L90 HydrophobicContact CD2-CD2 3.81Å; F58-L90 HydrophobicContact CE2-CD2 4.12Å; P73-L90 HydrophobicContact CB-CB 4.16Å; I76-L90 HydrophobicContact CB-CD2 4.34Å; I76-L90 HydrophobicContact CG2-CD2 3.62Å; M77-L90 VanDerWaalsContact CA-CD1 3.5Å; M77-L90 HydrophobicContact CB-CD1 3.43Å; M77-L90 VanDerWaalsContact CB-CD1 3.43Å; M77-L90 HydrophobicContact CG-CD1 3.82Å; M80-L90 HydrophobicContact SD-CD2 3.87Å; L85-L90 HydrophobicContact CD1-CG 4.24Å; L85-L90 HydrophobicContact CD2-CD1 4.04Å; L85-L90 HydrophobicContact CD2-CD2 4.12Å; L85-L90 HydrophobicContact CD2-CG 4.12Å; L85-L90 HydrophobicContact CG-CD1 3.99Å; L85-L90 HydrophobicContact CG-CG 4.03Å; T86-L90 PolarHBondContact O-N 3.05Å; Y88-L90 VanDerWaalsContact C-N 3.3Å; Y88-L90 PolarHBondContact O-N 3.03Å; L90-L94 WeakPolarHBondContact O-CB 3.4Å; L90-L94 PolarHBondContact O-N 3.28Å |
| 91 | K | 96.1 | Very high | 91.2 | Very high | 133 Ų | 133 | 80.1 Ų | 80.1 | 58% | 0.578 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -65.5 | -47.2 | 175.6 | -178.7 | -177.2 | 174.8 | -172.8 | 0 | 111 | P73 L87 Y88 Q95 | P73-K91 HydrophobicContact CG-CB 4.25Å; L87-K91 WeakPolarHBondContact O-CB 3.39Å; L87-K91 PolarHBondContact O-N 2.97Å; Y88-K91 PolarHBondContact O-N 3.47Å; K91-Q95 VanDerWaalsContact O-CB 3.26Å; K91-Q95 WeakPolarHBondContact O-CB 3.18Å; K91-Q95 PolarHBondContact O-N 3.14Å |
| 92 | S | 94.8 | Very high | 88.9 | Confident | 46 Ų | 46 | 84.3 Ų | 84.3 | 32% | 0.322 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -69.2 | -39.3 | -179.1 | 60.6 | 0 | 0 | 0 | 0 | 112.2 | Y88 H89 K96 | Y88-S92 PolarHBondContact O-N 3.42Å; Y88-S92 PolarHBondContact O-OG 3.08Å; H89-S92 PolarHBondContact O-OG 3.02Å; S92-K96 PolarHBondContact O-N 3.18Å; S92-K96 VanDerWaalsContact O-N 3.08Å |
| 93 | H | 95.5 | Very high | 86.9 | Confident | 21 Ų | 21 | 85.2 Ų | 85.2 | 10% | 0.097 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -70.4 | -44.4 | 176.9 | -164.4 | 55 | 0 | 0 | 0 | 112.7 | W50 H55 F58 H89 Q95 K96 F97 | W50-H93 AromaticContact CE2-CD2 3.85Å; W50-H93 AromaticContact CE2-CG 3.57Å; W50-H93 AromaticContact CE2-ND1 4Å; W50-H93 HydrophobicContact CH2-CB 4.18Å; W50-H93 AromaticContact CH2-CD2 3.71Å; W50-H93 HydrophobicContact CZ2-CB 3.43Å; W50-H93 VanDerWaalsContact CZ2-CB 3.43Å; W50-H93 AromaticContact CZ2-CD2 3.71Å; W50-H93 AromaticContact CZ2-CG 3.6Å; W50-H93 AromaticContact CZ3-CD2 3.85Å; W50-H93 AromaticContact NE1-CG 3.88Å; W50-H93 AromaticContact NE1-ND1 3.97Å; H55-H93 AromaticContact CE1-CE1 3.83Å; H55-H93 AromaticContact CE1-NE2 3.63Å; H55-H93 AromaticContact ND1-CE1 3.62Å; H55-H93 AromaticContact ND1-NE2 3.36Å; H55-H93 PolarHBondContact ND1-NE2 3.37Å; F58-H93 AromaticContact CD1-CD2 3.63Å; F58-H93 AromaticContact CD1-NE2 3.69Å; F58-H93 AromaticContact CD2-CD2 3.81Å; F58-H93 AromaticContact CE1-CD2 3.58Å; F58-H93 AromaticContact CE1-NE2 3.79Å; F58-H93 AromaticContact CE2-CD2 3.74Å; F58-H93 AromaticContact CG-CD2 3.76Å; F58-H93 AromaticContact CZ-CD2 3.64Å; H89-H93 VanDerWaalsContact O-CB 3.27Å; H89-H93 WeakPolarHBondContact O-CB 3.45Å; H89-H93 PolarHBondContact O-N 3.47Å; H93-Q95 VanDerWaalsContact C-N 3.3Å; H93-Q95 PolarHBondContact O-N 3.33Å; H93-K96 PolarHBondContact O-N 3.47Å; H93-K96 VanDerWaalsContact O-N 3.16Å; H93-F97 WeakPolarHBondContact O-CB 3.46Å; H93-F97 PolarHBondContact O-N 3.39Å |
| 94 | L | 95.8 | Very high | 84.5 | Confident | 4 Ų | 4 | 82.5 Ų | 82.5 | 2% | 0.021 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -63.1 | -35.6 | 174.3 | -176.7 | 66.1 | 0 | 0 | 0 | 112.3 | F58 V62 P73 I76 L90 F97 R98 | F58-L94 HydrophobicContact CE2-CB 4.37Å; F58-L94 HydrophobicContact CZ-CB 4.28Å; F58-L94 HydrophobicContact CZ-CD1 4.08Å; V62-L94 HydrophobicContact CG2-CD1 4.23Å; P73-L94 HydrophobicContact CG-CD2 3.93Å; I76-L94 HydrophobicContact CD1-CB 4.47Å; I76-L94 HydrophobicContact CD1-CD1 3.85Å; I76-L94 HydrophobicContact CD1-CD2 3.79Å; I76-L94 HydrophobicContact CD1-CG 4.24Å; L90-L94 WeakPolarHBondContact O-CB 3.4Å; L90-L94 PolarHBondContact O-N 3.28Å; L94-F97 PolarHBondContact O-N 3.21Å; L94-R98 HydrophobicContact CD1-CG 4.44Å; L94-R98 WeakPolarHBondContact O-CB 3.38Å; L94-R98 VanDerWaalsContact O-CG 3.27Å; L94-R98 WeakPolarHBondContact O-CG 3.43Å; L94-R98 PolarHBondContact O-N 3.1Å |
| 95 | Q | 94.9 | Very high | 82.2 | Confident | 112 Ų | 112 | 86.2 Ų | 86.2 | 52% | 0.523 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.5 | -45.8 | 172.9 | -178.5 | 175.5 | -7.6 | 0 | 0 | 111.2 | K91 H93 R98 L99 | K91-Q95 VanDerWaalsContact O-CB 3.26Å; K91-Q95 WeakPolarHBondContact O-CB 3.18Å; K91-Q95 PolarHBondContact O-N 3.14Å; H93-Q95 VanDerWaalsContact C-N 3.3Å; H93-Q95 PolarHBondContact O-N 3.33Å; Q95-R98 PolarHBondContact O-N 3.07Å; Q95-L99 HydrophobicContact CG-CD1 4.11Å; Q95-L99 WeakPolarHBondContact O-CG 3.42Å; Q95-L99 PolarHBondContact O-N 3.25Å |
| 96 | K | 93.3 | Very high | 79.6 | Confident | 158 Ų | 158 | 92.8 Ų | 92.8 | 69% | 0.687 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -61.3 | -45.3 | 173.7 | -74.7 | -174 | 173.2 | -166.6 | 0 | 112.1 | S92 H93 R98 L99 G100 | S92-K96 PolarHBondContact O-N 3.18Å; S92-K96 VanDerWaalsContact O-N 3.08Å; H93-K96 PolarHBondContact O-N 3.47Å; H93-K96 VanDerWaalsContact O-N 3.16Å; K96-R98 VanDerWaalsContact C-N 3.29Å; K96-R98 PolarHBondContact O-N 2.7Å; K96-L99 PolarHBondContact O-N 3.49Å; K96-G100 PolarHBondContact O-N 3.01Å |
| 97 | F | 94.6 | Very high | 77.2 | Confident | 25 Ų | 25 | 99 Ų | 99 | 11% | 0.11 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -68.2 | -23 | -178.4 | -169.2 | -96 | 0 | 0 | 0 | 114 | F58 V59 V62 P68 H93 L94 P103 | F58-F97 HydrophobicContact CE1-CB 3.99Å; F58-F97 AromaticContact CE1-CD1 3.99Å; F58-F97 HydrophobicContact CE1-CD1 3.99Å; F58-F97 AromaticContact CE1-CD2 3.78Å; F58-F97 HydrophobicContact CE1-CD2 3.78Å; F58-F97 HydrophobicContact CE1-CE1 4.42Å; F58-F97 HydrophobicContact CE1-CE2 4.2Å; F58-F97 AromaticContact CE1-CG 3.66Å; F58-F97 HydrophobicContact CE1-CG 3.66Å; F58-F97 HydrophobicContact CZ-CB 4.11Å; F58-F97 HydrophobicContact CZ-CD1 4.37Å; F58-F97 HydrophobicContact CZ-CG 4.17Å; V59-F97 HydrophobicContact CG2-CE2 3.83Å; V59-F97 HydrophobicContact CG2-CZ 4.05Å; V62-F97 HydrophobicContact CG1-CD1 4.44Å; V62-F97 HydrophobicContact CG1-CE1 3.86Å; P68-F97 HydrophobicContact CB-CD1 3.91Å; P68-F97 HydrophobicContact CB-CE1 4.04Å; H93-F97 WeakPolarHBondContact O-CB 3.46Å; H93-F97 PolarHBondContact O-N 3.39Å; L94-F97 PolarHBondContact O-N 3.21Å; F97-P103 HydrophobicContact CD2-CG 4.01Å; F97-P103 HydrophobicContact CE2-CG 3.52Å; F97-P103 HydrophobicContact CZ-CG 4.39Å |
| 98 | R | 94.8 | Very high | 74.4 | Confident | 102 Ų | 102 | 102.3 Ų | 102.3 | 39% | 0.385 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -79.8 | -38.3 | 170.9 | -76.2 | 167.2 | 173.4 | -156.9 | -10.3 | 113.1 | P68 D69 A71 L94 Q95 K96 | P68-R98 HydrophobicContact CB-CG 3.97Å; P68-R98 VanDerWaalsContact O-CZ 3.22Å; P68-R98 PolarHBondContact O-NE 3.45Å; P68-R98 PolarHBondContact O-NH2 3.18Å; D69-R98 PolarHBondContact O-NH2 3.12Å; D69-R98 VanDerWaalsContact O-NH2 3.13Å; A71-R98 PolarHBondContact O-NH2 2.92Å; L94-R98 HydrophobicContact CD1-CG 4.44Å; L94-R98 WeakPolarHBondContact O-CB 3.38Å; L94-R98 VanDerWaalsContact O-CG 3.27Å; L94-R98 WeakPolarHBondContact O-CG 3.43Å; L94-R98 PolarHBondContact O-N 3.1Å; Q95-R98 PolarHBondContact O-N 3.07Å; K96-R98 VanDerWaalsContact C-N 3.29Å; K96-R98 PolarHBondContact O-N 2.7Å |
| 99 | L | 90.1 | Very high | 71.6 | Confident | 130 Ų | 130 | 99.9 Ų | 99.9 | 68% | 0.681 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -78.5 | -41 | -178.8 | -66.3 | 171.3 | 0 | 0 | 0 | 111.4 | Q95 K96 K101 | Q95-L99 HydrophobicContact CG-CD1 4.11Å; Q95-L99 WeakPolarHBondContact O-CG 3.42Å; Q95-L99 PolarHBondContact O-N 3.25Å; K96-L99 PolarHBondContact O-N 3.49Å; L99-K101 VanDerWaalsContact C-N 3.31Å; L99-K101 PolarHBondContact O-N 2.93Å |
| 100 | G | 74.9 | Confident | 68.9 | Low | 45 Ų | 45 | 105.2 Ų | 105.2 | 46% | 0.464 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -75.7 | 80 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | K96 Q102 | K96-G100 PolarHBondContact O-N 3.01Å; G100-Q102 PolarHBondContact O-N 3.24Å |
| 101 | K | 55 | Low | 66.3 | Low | 167 Ų | 167 | 110 Ų | 110 | 73% | 0.726 | 54% | 0.539 | S | S | * | . | trans | -48.4 | 103.9 | 176.5 | -60.5 | 171.6 | -175.4 | 169 | 0 | 110.6 | L99 | L99-K101 VanDerWaalsContact C-N 3.31Å; L99-K101 PolarHBondContact O-N 2.93Å | ||
| 102 | Q | 44.9 | Very low | 64.2 | Low | 146 Ų | 146 | 110.2 Ų | 110.2 | 68% | 0.682 | 55% | 0.552 | S | S | * | * | trans | 55.3 | 101.3 | 177.9 | -71.1 | -72.8 | 21 | 0 | 0 | 116.1 | G100 H104 | G100-Q102 PolarHBondContact O-N 3.24Å; Q102-H104 HydrophobicContact CB-CB 4.01Å; Q102-H104 HydrophobicContact CG-CB 4.47Å; Q102-H104 PolarHBondContact O-N 3.18Å | ||
| 103 | P | 51.2 | Low | 62 | Low | 72 Ų | 72 | 113.5 Ų | 113.5 | 47% | 0.468 | 56% | 0.56 | S | S | . | * | trans | -74.3 | 38.5 | 155.9 | 34.7 | -34.7 | 0 | 0 | 0 | 111.7 | F97 K105 | F97-P103 HydrophobicContact CD2-CG 4.01Å; F97-P103 HydrophobicContact CE2-CG 3.52Å; F97-P103 HydrophobicContact CZ-CG 4.39Å; P103-K105 PolarHBondContact O-N 3.45Å; P103-K105 VanDerWaalsContact O-N 3.17Å | ||
| 104 | H | 39.4 | Very low | 59.6 | Low | 150 Ų | 150 | 119.9 Ų | 119.9 | 69% | 0.694 | 60% | 0.595 | S | S | * | * | trans | -88.9 | 81.2 | -177.9 | -177.4 | -66.8 | 0 | 0 | 0 | 109.9 | Q102 | Q102-H104 HydrophobicContact CB-CB 4.01Å; Q102-H104 HydrophobicContact CG-CB 4.47Å; Q102-H104 PolarHBondContact O-N 3.18Å | ||
| 105 | K | 42.2 | Very low | 57.5 | Low | 146 Ų | 146 | 124.2 Ų | 124.2 | 64% | 0.635 | 63% | 0.631 | S | S | * | * | S | Bend | trans | 154.5 | -34.2 | 143.6 | -179 | 174.8 | 176.6 | -163.7 | 0 | 113.1 | P103 F107 | P103-K105 PolarHBondContact O-N 3.45Å; P103-K105 VanDerWaalsContact O-N 3.17Å; K105-F107 PolarHBondContact O-N 3.3Å |
| 106 | E | 38.4 | Very low | 55.4 | Low | 147 Ų | 147 | 122.1 Ų | 122.1 | 69% | 0.687 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | 40.1 | -157.6 | -41.3 | -52.7 | 160.9 | 0 | 0 | 116.4 | ||
| 107 | F | 43.6 | Very low | 53.4 | Low | 190 Ų | 190 | 118.8 Ų | 118.8 | 83% | 0.833 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.9 | 2.3 | 174.6 | -101.1 | -78.8 | 0 | 0 | 0 | 115.7 | K105 | K105-F107 PolarHBondContact O-N 3.3Š|
| 108 | N | 36.2 | Very low | 51.3 | Low | 139 Ų | 139 | 122.1 Ų | 122.1 | 74% | 0.743 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -147.4 | 55 | 179.1 | -172.1 | 42.2 | 0 | 0 | 0 | 113.3 | ||
| 109 | E | 36.5 | Very low | 49.3 | Very low | 121 Ų | 121 | 125.6 Ų | 125.6 | 57% | 0.565 | 69% | 0.69 | S | S | * | * | trans | -152.8 | 79.7 | 161.6 | -120.3 | 166.4 | 74 | 0 | 0 | 109.9 | K113 | E109-K113 HydrophobicContact CG-CD 4.22Å; E109-K113 WeakPolarHBondContact OE1-CD 3.46Å; E109-K113 IonicContact OE1-NZ 2.82Å; E109-K113 WeakPolarHBondContact OE2-CD 3.27Å; E109-K113 IonicContact OE2-NZ 3.92Å; E109-K113 PolarHBondContact OE2-NZ 3.31Å | ||
| 110 | H | 38.8 | Very low | 47.2 | Very low | 155 Ų | 155 | 126.8 Ų | 126.8 | 72% | 0.718 | 69% | 0.692 | S | S | * | * | trans | -116.7 | 120.4 | 168.1 | -31.4 | 72.6 | 0 | 0 | 0 | 106.1 | ||||
| 111 | S | 41.3 | Very low | 46.1 | Very low | 100 Ų | 100 | 133.8 Ų | 133.8 | 70% | 0.699 | 72% | 0.715 | S | S | * | * | S | Bend | trans | 78.1 | 149.3 | -171.2 | -153.6 | 0 | 0 | 0 | 0 | 116.4 | ||
| 112 | V | 53 | Low | 45.8 | Very low | 139 Ų | 139 | 134.6 Ų | 134.6 | 84% | 0.842 | 72% | 0.721 | S | S | * | * | S | Bend | trans | 74.9 | 5 | 163.8 | -41.4 | 0 | 0 | 0 | 0 | 123.4 | ||
| 113 | K | 46.9 | Very low | 45.9 | Very low | 114 Ų | 114 | 138.6 Ų | 138.6 | 50% | 0.496 | 73% | 0.73 | S | S | . | * | trans | -117 | -9.5 | -174.1 | -135.9 | -177.4 | -171.8 | 179.9 | 0 | 119.4 | E109 A115 A116 | E109-K113 HydrophobicContact CG-CD 4.22Å; E109-K113 WeakPolarHBondContact OE1-CD 3.46Å; E109-K113 IonicContact OE1-NZ 2.82Å; E109-K113 WeakPolarHBondContact OE2-CD 3.27Å; E109-K113 IonicContact OE2-NZ 3.92Å; E109-K113 PolarHBondContact OE2-NZ 3.31Å; K113-A115 PolarHBondContact O-N 3.22Å; K113-A116 PolarHBondContact O-N 3.32Å; K113-A116 VanDerWaalsContact O-N 3.1Å | ||
| 114 | D | 45.3 | Very low | 45.8 | Very low | 156 Ų | 156 | 142.1 Ų | 142.1 | 83% | 0.834 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -19.6 | -178.1 | -57.9 | -79.9 | 0 | 0 | 0 | 114.5 | ||
| 115 | A | 51.2 | Low | 46.3 | Very low | 94 Ų | 94 | 139.9 Ų | 139.9 | 78% | 0.777 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -19.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | K113 | K113-A115 PolarHBondContact O-N 3.22Š|
| 116 | A | 51 | Low | 46.7 | Very low | 68 Ų | 68 | 137.3 Ų | 137.3 | 56% | 0.562 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -31.8 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | K113 A118 | K113-A116 PolarHBondContact O-N 3.32Å; K113-A116 VanDerWaalsContact O-N 3.1Å; A116-A118 PolarHBondContact O-N 3.22Å |
| 117 | A | 52 | Low | 47.2 | Very low | 88 Ų | 88 | 135.6 Ų | 135.6 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -69.8 | -18.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | M119 | A117-M119 VanDerWaalsContact C-N 3.29Å; A117-M119 PolarHBondContact O-N 3.37Å |
| 118 | A | 50.3 | Low | 47.3 | Very low | 95 Ų | 95 | 132.3 Ų | 132.3 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -76.3 | -5.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | A116 | A116-A118 PolarHBondContact O-N 3.22Š|
| 119 | M | 54 | Low | 47.9 | Very low | 176 Ų | 176 | 131.5 Ų | 131.5 | 87% | 0.867 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -116.1 | -0.3 | -169.4 | -151.7 | 175.1 | -70.5 | 0 | 0 | 115.3 | A117 M121 | A117-M119 VanDerWaalsContact C-N 3.29Å; A117-M119 PolarHBondContact O-N 3.37Å; M119-M121 PolarHBondContact O-N 2.91Å |
| 120 | E | 45.2 | Very low | 48.7 | Very low | 155 Ų | 155 | 128.4 Ų | 128.4 | 72% | 0.724 | 77% | 0.769 | S | S | * | * | trans | -91.1 | 15.1 | -173.5 | -143.6 | -174 | 140.5 | 0 | 0 | 115.2 | Q122 | E120-Q122 PolarHBondContact O-N 2.91Š| ||
| 121 | M | 52.6 | Low | 49.6 | Very low | 191 Ų | 191 | 128 Ų | 128 | 94% | 0.941 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | 20 | -168.8 | -156.7 | 169.8 | 177.6 | 0 | 0 | 115.6 | M119 | M119-M121 PolarHBondContact O-N 2.91Š|
| 122 | Q | 46.9 | Very low | 50.3 | Low | 184 Ų | 184 | 131.6 Ų | 131.6 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145.9 | 25.4 | -165 | -146.4 | -175.5 | -28.1 | 0 | 0 | 118.2 | E120 | E120-Q122 PolarHBondContact O-N 2.91Š|
| 123 | R | 48.2 | Very low | 50.2 | Low | 231 Ų | 231 | 127.9 Ų | 127.9 | 87% | 0.872 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -132.9 | -22.4 | 176.7 | -89.9 | -168.8 | 167.9 | 87.9 | 3.1 | 119.9 | A125 | R123-A125 PolarHBondContact O-N 3.31Š|
| 124 | N | 48.9 | Very low | 50.6 | Low | 145 Ų | 145 | 131 Ų | 131 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | trans | -99.4 | 63.1 | -166.8 | -67.1 | -33.3 | 0 | 0 | 0 | 114.6 | ||||
| 125 | A | 50.3 | Low | 51.1 | Low | 104 Ų | 104 | 127.8 Ų | 127.8 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | trans | -94.7 | 13.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | R123 | R123-A125 PolarHBondContact O-N 3.31Š| ||
| 126 | A | 51.1 | Low | 51.5 | Low | 92 Ų | 92 | 130.5 Ų | 130.5 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -132.1 | 20.2 | -162.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 127 | S | 47.4 | Very low | 52 | Low | 111 Ų | 111 | 132.2 Ų | 132.2 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | trans | -149.6 | 50.9 | -177.3 | -68.2 | 0 | 0 | 0 | 0 | 114.2 | S129 | S127-S129 PolarHBondContact O-N 2.89Š| ||
| 128 | S | 45.5 | Very low | 52.6 | Low | 120 Ų | 120 | 132.2 Ų | 132.2 | 84% | 0.839 | 75% | 0.752 | S | S | * | * | trans | -98.6 | 53.1 | -175.9 | 48 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 129 | S | 50 | Low | 53.7 | Low | 122 Ų | 122 | 137.3 Ų | 137.3 | 85% | 0.853 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -144.2 | 118.6 | 170.4 | -167.4 | 0 | 0 | 0 | 0 | 111.9 | S127 | S127-S129 PolarHBondContact O-N 2.89Š|
| 130 | G | 53.3 | Low | 54.6 | Low | 57 Ų | 57 | 131.5 Ų | 131.5 | 59% | 0.588 | 73% | 0.728 | S | S | * | * | S | Bend | trans | 119.8 | 5.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 131 | M | 57.4 | Low | 56.2 | Low | 146 Ų | 146 | 127.2 Ų | 127.2 | 72% | 0.719 | 71% | 0.712 | S | S | * | * | trans | -92 | -29.5 | -176.8 | -64.9 | 175.6 | 74.9 | 0 | 0 | 114.5 | G133 R134 | M131-G133 VanDerWaalsContact C-N 3.33Å; M131-G133 PolarHBondContact O-N 3.15Å; M131-R134 PolarHBondContact O-N 3.18Å | ||
| 132 | M | 55.1 | Low | 57.5 | Low | 175 Ų | 175 | 124.2 Ų | 124.2 | 86% | 0.862 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -67.1 | -26.2 | -170.4 | -67.8 | 177 | 176.3 | 0 | 0 | 114.8 | R134 | M132-R134 PolarHBondContact O-N 2.87Å |
| 133 | G | 52.2 | Low | 59.1 | Low | 62 Ų | 62 | 121.2 Ų | 121.2 | 64% | 0.639 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -72.2 | -10.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | M131 | M131-G133 VanDerWaalsContact C-N 3.33Å; M131-G133 PolarHBondContact O-N 3.15Å |
| 134 | R | 55.6 | Low | 60.9 | Low | 178 Ų | 178 | 114.3 Ų | 114.3 | 67% | 0.672 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -86.7 | -48.3 | -174.1 | -59.5 | 174.2 | -169.5 | -98.3 | -0.8 | 111.7 | M131 M132 M136 N137 D138 | M131-R134 PolarHBondContact O-N 3.18Å; M132-R134 PolarHBondContact O-N 2.87Å; R134-M136 PolarHBondContact O-N 2.88Å; R134-N137 WeakPolarHBondContact O-CA 3.45Å; R134-N137 WeakPolarHBondContact O-CB 3.3Å; R134-N137 PolarHBondContact O-N 3.11Å; R134-D138 PolarHBondContact O-N 2.93Å |
| 135 | S | 55.7 | Low | 62.8 | Low | 89 Ų | 89 | 110.9 Ų | 110.9 | 62% | 0.622 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -55.3 | -40.5 | -175.8 | 178.9 | 0 | 0 | 0 | 0 | 114.7 | D138 R139 | S135-D138 PolarHBondContact O-N 3.07Å; S135-R139 PolarHBondContact O-N 3.34Å |
| 136 | M | 58.7 | Low | 64.7 | Low | 152 Ų | 152 | 108.5 Ų | 108.5 | 75% | 0.749 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -68.8 | -33.8 | 174.7 | -74.3 | -168.4 | -73.7 | 0 | 0 | 112.7 | R134 S140 | R134-M136 PolarHBondContact O-N 2.88Å; M136-S140 WeakPolarHBondContact O-CB 3.26Å; M136-S140 PolarHBondContact O-N 2.94Å |
| 137 | N | 62.6 | Low | 66.7 | Low | 103 Ų | 103 | 107.9 Ų | 107.9 | 55% | 0.551 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -71.2 | -39.9 | 176.2 | -165.2 | 50.2 | 0 | 0 | 0 | 111.1 | R134 R139 S140 V141 | R134-N137 WeakPolarHBondContact O-CA 3.45Å; R134-N137 WeakPolarHBondContact O-CB 3.3Å; R134-N137 PolarHBondContact O-N 3.11Å; N137-R139 PolarHBondContact O-N 3.29Å; N137-S140 WeakPolarHBondContact O-CB 3.1Å; N137-S140 PolarHBondContact O-N 3.01Å; N137-V141 WeakPolarHBondContact O-CG2 3.39Å; N137-V141 PolarHBondContact O-N 2.93Å |
| 138 | D | 64.5 | Low | 68.8 | Low | 88 Ų | 88 | 109.5 Ų | 109.5 | 47% | 0.471 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -56.6 | -50.6 | 173.7 | -82.2 | -70.8 | 0 | 0 | 0 | 111.9 | R134 S135 S140 V141 H142 | R134-D138 PolarHBondContact O-N 2.93Å; S135-D138 PolarHBondContact O-N 3.07Å; D138-S140 VanDerWaalsContact C-N 3.27Å; D138-S140 PolarHBondContact O-N 3.25Å; D138-V141 PolarHBondContact O-N 3.27Å; D138-V141 VanDerWaalsContact O-N 3.15Å; D138-H142 PolarHBondContact O-N 3.39Å; D138-H142 PolarHBondContact O-ND1 3.25Å |
| 139 | R | 73.5 | Confident | 71.1 | Confident | 202 Ų | 202 | 109.7 Ų | 109.7 | 76% | 0.762 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -63.2 | -33.9 | 178.7 | -165.1 | 174.3 | -174.6 | 179.4 | 2.1 | 112.5 | S135 N137 M143 | S135-R139 PolarHBondContact O-N 3.34Å; N137-R139 PolarHBondContact O-N 3.29Å; R139-M143 PolarHBondContact O-N 3.12Å; R139-M143 VanDerWaalsContact O-N 3.13Å |
| 140 | S | 72.9 | Confident | 73.1 | Confident | 55 Ų | 55 | 109.7 Ų | 109.7 | 39% | 0.385 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67.1 | -44 | 172.6 | -174.4 | 0 | 0 | 0 | 0 | 112.2 | M136 N137 D138 H142 M143 N144 | M136-S140 WeakPolarHBondContact O-CB 3.26Å; M136-S140 PolarHBondContact O-N 2.94Å; N137-S140 WeakPolarHBondContact O-CB 3.1Å; N137-S140 PolarHBondContact O-N 3.01Å; D138-S140 VanDerWaalsContact C-N 3.27Å; D138-S140 PolarHBondContact O-N 3.25Å; S140-H142 PolarHBondContact O-N 3.15Å; S140-M143 PolarHBondContact O-N 3.4Å; S140-N144 PolarHBondContact O-N 3.15Å; S140-N144 PolarHBondContact O-ND2 3.16Å |
| 141 | V | 78.3 | Confident | 75 | Confident | 64 Ų | 64 | 111.1 Ų | 111.1 | 39% | 0.388 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61.2 | -45.1 | 176.5 | 168.1 | 0 | 0 | 0 | 0 | 110.7 | N137 D138 M143 N144 E145 | N137-V141 WeakPolarHBondContact O-CG2 3.39Å; N137-V141 PolarHBondContact O-N 2.93Å; D138-V141 PolarHBondContact O-N 3.27Å; D138-V141 VanDerWaalsContact O-N 3.15Å; V141-M143 VanDerWaalsContact C-N 3.33Å; V141-M143 PolarHBondContact O-N 3.49Å; V141-N144 PolarHBondContact O-N 3.45Å; V141-E145 WeakPolarHBondContact O-CB 3.49Å; V141-E145 PolarHBondContact O-N 3.09Å |
| 142 | H | 80.5 | Confident | 76.8 | Confident | 129 Ų | 129 | 107.2 Ų | 107.2 | 60% | 0.597 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.7 | -37.5 | 176.5 | -71.9 | 75.2 | 0 | 0 | 0 | 112.4 | D138 S140 E145 A146 | D138-H142 PolarHBondContact O-N 3.39Å; D138-H142 PolarHBondContact O-ND1 3.25Å; S140-H142 PolarHBondContact O-N 3.15Å; H142-E145 PolarHBondContact O-N 3.04Å; H142-A146 WeakPolarHBondContact O-CB 3.36Å; H142-A146 PolarHBondContact O-N 3Å |
| 143 | M | 80 | Confident | 78.7 | Confident | 120 Ų | 120 | 103.8 Ų | 103.8 | 59% | 0.591 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.6 | -43.9 | 174.1 | -175.2 | -176.8 | -69.9 | 0 | 0 | 112 | R139 S140 V141 E145 A146 I147 | R139-M143 PolarHBondContact O-N 3.12Å; R139-M143 VanDerWaalsContact O-N 3.13Å; S140-M143 PolarHBondContact O-N 3.4Å; V141-M143 VanDerWaalsContact C-N 3.33Å; V141-M143 PolarHBondContact O-N 3.49Å; M143-E145 VanDerWaalsContact C-N 3.35Å; M143-A146 PolarHBondContact O-N 3.28Å; M143-I147 HydrophobicContact CG-CD1 4.19Å; M143-I147 WeakPolarHBondContact O-CG1 3.28Å; M143-I147 PolarHBondContact O-N 2.92Å |
| 144 | N | 86.2 | Confident | 80.7 | Confident | 86 Ų | 86 | 105.7 Ų | 105.7 | 46% | 0.46 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67 | -34 | 175.6 | -78.9 | -87.2 | 0 | 0 | 0 | 112.4 | S140 V141 R148 | S140-N144 PolarHBondContact O-N 3.15Å; S140-N144 PolarHBondContact O-ND2 3.16Å; V141-N144 PolarHBondContact O-N 3.45Å; N144-R148 WeakPolarHBondContact O-CB 3.35Å; N144-R148 VanDerWaalsContact O-CG 3.29Å; N144-R148 WeakPolarHBondContact O-CG 3.45Å; N144-R148 PolarHBondContact O-N 3.09Å |
| 145 | E | 88.9 | Confident | 82.5 | Confident | 73 Ų | 73 | 104.1 Ų | 104.1 | 34% | 0.341 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.5 | -47.6 | 172.2 | -161.9 | 86.7 | -114.4 | 0 | 0 | 110.2 | V141 H142 M143 I147 R148 M149 | V141-E145 WeakPolarHBondContact O-CB 3.49Å; V141-E145 PolarHBondContact O-N 3.09Å; H142-E145 PolarHBondContact O-N 3.04Å; M143-E145 VanDerWaalsContact C-N 3.35Å; E145-I147 PolarHBondContact O-N 3.41Å; E145-R148 PolarHBondContact O-N 3.45Å; E145-R148 IonicContact OE1-CZ 3.57Å; E145-R148 IonicContact OE1-NH1 3.22Å; E145-R148 PolarHBondContact OE1-NH1 2.89Å; E145-R148 IonicContact OE1-NH2 2.83Å; E145-M149 WeakPolarHBondContact O-CG 3.48Å; E145-M149 PolarHBondContact O-N 3.02Å |
| 146 | A | 89.6 | Confident | 84.4 | Confident | 55 Ų | 55 | 106.1 Ų | 106.1 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.6 | -44.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | H142 M143 R148 M149 Q150 | H142-A146 WeakPolarHBondContact O-CB 3.36Å; H142-A146 PolarHBondContact O-N 3Å; M143-A146 PolarHBondContact O-N 3.28Å; A146-R148 VanDerWaalsContact C-N 3.34Å; A146-R148 PolarHBondContact O-N 3.29Å; A146-M149 PolarHBondContact O-N 3.16Å; A146-Q150 PolarHBondContact O-N 3.39Å |
| 147 | I | 93.5 | Very high | 86.1 | Confident | 78 Ų | 78 | 104.1 Ų | 104.1 | 40% | 0.4 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.6 | -43.9 | 174.7 | -67.9 | 163.8 | 0 | 0 | 0 | 110.7 | M143 E145 M149 Q150 M151 | M143-I147 HydrophobicContact CG-CD1 4.19Å; M143-I147 WeakPolarHBondContact O-CG1 3.28Å; M143-I147 PolarHBondContact O-N 2.92Å; E145-I147 PolarHBondContact O-N 3.41Å; I147-M149 PolarHBondContact O-N 3.1Å; I147-Q150 PolarHBondContact O-N 3.3Å; I147-M151 HydrophobicContact CG2-CE 4.07Å; I147-M151 HydrophobicContact CG2-SD 4.47Å; I147-M151 WeakPolarHBondContact O-CG 3.26Å; I147-M151 PolarHBondContact O-N 3.16Å |
| 148 | R | 91.4 | Very high | 87.7 | Confident | 146 Ų | 146 | 105.6 Ų | 105.6 | 55% | 0.551 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.3 | -38.3 | 176.5 | -78.4 | 175.2 | 54.3 | -102.9 | -11.7 | 112.8 | N144 E145 A146 E152 | N144-R148 WeakPolarHBondContact O-CB 3.35Å; N144-R148 VanDerWaalsContact O-CG 3.29Å; N144-R148 WeakPolarHBondContact O-CG 3.45Å; N144-R148 PolarHBondContact O-N 3.09Å; E145-R148 PolarHBondContact O-N 3.45Å; E145-R148 IonicContact OE1-CZ 3.57Å; E145-R148 IonicContact OE1-NH1 3.22Å; E145-R148 PolarHBondContact OE1-NH1 2.89Å; E145-R148 IonicContact OE1-NH2 2.83Å; A146-R148 VanDerWaalsContact C-N 3.34Å; A146-R148 PolarHBondContact O-N 3.29Å; R148-E152 PolarHBondContact O-N 2.87Å |
| 149 | M | 92.9 | Very high | 89.1 | Confident | 124 Ų | 124 | 105.8 Ų | 105.8 | 61% | 0.611 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64 | -43.8 | 173.4 | -71.8 | 176.6 | 69.3 | 0 | 0 | 111.1 | E145 A146 I147 E152 V153 | E145-M149 WeakPolarHBondContact O-CG 3.48Å; E145-M149 PolarHBondContact O-N 3.02Å; A146-M149 PolarHBondContact O-N 3.16Å; I147-M149 PolarHBondContact O-N 3.1Å; M149-E152 PolarHBondContact O-N 3.24Å; M149-V153 WeakPolarHBondContact O-CG2 3.34Å; M149-V153 PolarHBondContact O-N 3.1Å |
| 150 | Q | 93.1 | Very high | 90.2 | Very high | 121 Ų | 121 | 102.3 Ų | 102.3 | 57% | 0.565 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.2 | -39.9 | 178.5 | -167 | 169.4 | 12 | 0 | 0 | 112.3 | A146 I147 E152 V153 Q154 | A146-Q150 PolarHBondContact O-N 3.39Å; I147-Q150 PolarHBondContact O-N 3.3Å; Q150-E152 VanDerWaalsContact C-N 3.34Å; Q150-E152 PolarHBondContact O-N 3.12Å; Q150-V153 PolarHBondContact O-N 3.21Å; Q150-Q154 PolarHBondContact O-N 3.01Å |
| 151 | M | 93.1 | Very high | 91.2 | Very high | 88 Ų | 88 | 103.9 Ų | 103.9 | 43% | 0.433 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.4 | -37.8 | 171.6 | -73.9 | -176.8 | 174.1 | 0 | 0 | 112.8 | I147 R155 | I147-M151 HydrophobicContact CG2-CE 4.07Å; I147-M151 HydrophobicContact CG2-SD 4.47Å; I147-M151 WeakPolarHBondContact O-CG 3.26Å; I147-M151 PolarHBondContact O-N 3.16Å; M151-R155 WeakPolarHBondContact O-CB 3.36Å; M151-R155 PolarHBondContact O-N 3.28Å |
| 152 | E | 94.5 | Very high | 92.1 | Very high | 64 Ų | 64 | 107 Ų | 107 | 30% | 0.299 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70 | -41.6 | 175.9 | -174.5 | 64.6 | -173.3 | 0 | 0 | 111.5 | R148 M149 Q150 Q154 R155 R156 | R148-E152 PolarHBondContact O-N 2.87Å; M149-E152 PolarHBondContact O-N 3.24Å; Q150-E152 VanDerWaalsContact C-N 3.34Å; Q150-E152 PolarHBondContact O-N 3.12Å; E152-Q154 VanDerWaalsContact C-N 3.35Å; E152-Q154 PolarHBondContact O-N 3.49Å; E152-R155 WeakPolarHBondContact O-CB 3.46Å; E152-R155 PolarHBondContact O-N 2.97Å; E152-R155 VanDerWaalsContact O-N 3.16Å; E152-R155 IonicContact OE2-CZ 2.65Å; E152-R155 IonicContact OE2-NE 2.64Å; E152-R155 PolarHBondContact OE2-NE 2.93Å; E152-R155 IonicContact OE2-NH2 3.74Å; E152-R155 PolarHBondContact OE2-NH2 3.15Å; E152-R156 WeakPolarHBondContact O-CG 3.36Å; E152-R156 PolarHBondContact O-N 3.04Å; E152-R156 IonicContact OE1-CZ 3.59Å; E152-R156 VanDerWaalsContact OE1-CZ 3.25Å; E152-R156 IonicContact OE1-NE 3.92Å; E152-R156 PolarHBondContact OE1-NE 2.84Å; E152-R156 IonicContact OE1-NH2 3.71Å; E152-R156 PolarHBondContact OE1-NH2 3.38Å |
| 153 | V | 95.3 | Very high | 92.9 | Very high | 103 Ų | 103 | 105.1 Ų | 105.1 | 62% | 0.624 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.2 | -45 | 174.2 | 171 | 0 | 0 | 0 | 0 | 111.2 | M149 Q150 R155 R156 L157 | M149-V153 WeakPolarHBondContact O-CG2 3.34Å; M149-V153 PolarHBondContact O-N 3.1Å; Q150-V153 PolarHBondContact O-N 3.21Å; V153-R155 PolarHBondContact O-N 3.46Å; V153-R156 PolarHBondContact O-N 3.16Å; V153-L157 PolarHBondContact O-N 3.08Å |
| 154 | Q | 93.1 | Very high | 93.6 | Very high | 102 Ų | 102 | 104.8 Ų | 104.8 | 48% | 0.477 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.3 | -41.2 | 174.2 | -75.1 | -176.3 | -13 | 0 | 0 | 112.4 | Q150 E152 R156 L157 H158 | Q150-Q154 PolarHBondContact O-N 3.01Å; E152-Q154 VanDerWaalsContact C-N 3.35Å; E152-Q154 PolarHBondContact O-N 3.49Å; Q154-R156 PolarHBondContact O-N 2.87Å; Q154-L157 PolarHBondContact O-N 3.2Å; Q154-H158 WeakPolarHBondContact O-CB 3.27Å; Q154-H158 PolarHBondContact O-N 2.83Å |
| 155 | R | 95 | Very high | 94.1 | Very high | 144 Ų | 144 | 107.7 Ų | 107.7 | 54% | 0.543 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.5 | -46.9 | 174.9 | -169.6 | -162.6 | -43.5 | -63.1 | -10.3 | 111.7 | M151 E152 V153 H158 E159 | M151-R155 WeakPolarHBondContact O-CB 3.36Å; M151-R155 PolarHBondContact O-N 3.28Å; E152-R155 WeakPolarHBondContact O-CB 3.46Å; E152-R155 PolarHBondContact O-N 2.97Å; E152-R155 VanDerWaalsContact O-N 3.16Å; E152-R155 IonicContact OE2-CZ 2.65Å; E152-R155 IonicContact OE2-NE 2.64Å; E152-R155 PolarHBondContact OE2-NE 2.93Å; E152-R155 IonicContact OE2-NH2 3.74Å; E152-R155 PolarHBondContact OE2-NH2 3.15Å; V153-R155 PolarHBondContact O-N 3.46Å; R155-H158 PolarHBondContact O-N 3.22Å; R155-E159 WeakPolarHBondContact O-CB 3.44Å; R155-E159 PolarHBondContact O-N 3.44Å |
| 156 | R | 94.2 | Very high | 94.5 | Very high | 132 Ų | 132 | 109.3 Ų | 109.3 | 50% | 0.498 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.3 | -39 | 179.4 | -63.6 | -54 | 175.6 | 156.4 | 1.8 | 112.4 | E152 V153 Q154 H158 E159 Q160 | E152-R156 WeakPolarHBondContact O-CG 3.36Å; E152-R156 PolarHBondContact O-N 3.04Å; E152-R156 IonicContact OE1-CZ 3.59Å; E152-R156 VanDerWaalsContact OE1-CZ 3.25Å; E152-R156 IonicContact OE1-NE 3.92Å; E152-R156 PolarHBondContact OE1-NE 2.84Å; E152-R156 IonicContact OE1-NH2 3.71Å; E152-R156 PolarHBondContact OE1-NH2 3.38Å; V153-R156 PolarHBondContact O-N 3.16Å; Q154-R156 PolarHBondContact O-N 2.87Å; R156-H158 VanDerWaalsContact C-N 3.34Å; R156-E159 VanDerWaalsContact CD-OE2 3.26Å; R156-E159 WeakPolarHBondContact CD-OE2 3.35Å; R156-E159 IonicContact CZ-OE2 2.7Å; R156-E159 IonicContact NE-OE2 3.99Å; R156-E159 IonicContact NH1-OE2 3.25Å; R156-E159 PolarHBondContact NH1-OE2 3.16Å; R156-E159 PolarHBondContact O-N 2.97Å; R156-Q160 VanDerWaalsContact O-CG 3.29Å; R156-Q160 WeakPolarHBondContact O-CG 3.33Å; R156-Q160 PolarHBondContact O-N 3.42Å |
| 157 | L | 95.2 | Very high | 94.9 | Very high | 110 Ų | 110 | 110.3 Ų | 110.3 | 58% | 0.576 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.3 | -42.3 | 174.5 | -176 | 60.6 | 0 | 0 | 0 | 111.3 | V153 Q154 Q160 L161 | V153-L157 PolarHBondContact O-N 3.08Å; Q154-L157 PolarHBondContact O-N 3.2Å; L157-Q160 PolarHBondContact O-N 2.9Å; L157-L161 HydrophobicContact CG-CD1 4.2Å; L157-L161 WeakPolarHBondContact O-CB 3.29Å; L157-L161 VanDerWaalsContact O-CG 3.28Å; L157-L161 WeakPolarHBondContact O-CG 3.28Å; L157-L161 PolarHBondContact O-N 3.44Å |
| 158 | H | 95.3 | Very high | 95 | Very high | 134 Ų | 134 | 109.9 Ų | 109.9 | 62% | 0.62 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.6 | -43.6 | 176.8 | -164.6 | 87.2 | 0 | 0 | 0 | 112.3 | Q154 R155 R156 Q160 L161 E162 | Q154-H158 WeakPolarHBondContact O-CB 3.27Å; Q154-H158 PolarHBondContact O-N 2.83Å; R155-H158 PolarHBondContact O-N 3.22Å; R156-H158 VanDerWaalsContact C-N 3.34Å; H158-Q160 VanDerWaalsContact C-N 3.35Å; H158-Q160 PolarHBondContact O-N 3.21Å; H158-L161 PolarHBondContact O-N 2.82Å; H158-E162 PolarHBondContact O-N 2.98Å |
| 159 | E | 95 | Very high | 95.3 | Very high | 91 Ų | 91 | 107.2 Ų | 107.2 | 43% | 0.425 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -57.1 | -44.3 | 174.3 | -177.4 | 177.5 | -147.8 | 0 | 0 | 111.6 | R155 R156 E162 V163 | R155-E159 WeakPolarHBondContact O-CB 3.44Å; R155-E159 PolarHBondContact O-N 3.44Å; R156-E159 VanDerWaalsContact CD-OE2 3.26Å; R156-E159 WeakPolarHBondContact CD-OE2 3.35Å; R156-E159 IonicContact CZ-OE2 2.7Å; R156-E159 IonicContact NE-OE2 3.99Å; R156-E159 IonicContact NH1-OE2 3.25Å; R156-E159 PolarHBondContact NH1-OE2 3.16Å; R156-E159 PolarHBondContact O-N 2.97Å; E159-E162 PolarHBondContact O-N 3.43Å; E159-V163 WeakPolarHBondContact O-CG2 3.26Å; E159-V163 PolarHBondContact O-N 2.98Å; E159-V163 VanDerWaalsContact O-N 3.09Å |
| 160 | Q | 95.6 | Very high | 95.5 | Very high | 130 Ų | 130 | 109 Ų | 109 | 61% | 0.607 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.3 | -41 | 175.2 | -70.2 | -68 | -34.2 | 0 | 0 | 112.7 | R156 L157 H158 V163 Q164 | R156-Q160 VanDerWaalsContact O-CG 3.29Å; R156-Q160 WeakPolarHBondContact O-CG 3.33Å; R156-Q160 PolarHBondContact O-N 3.42Å; L157-Q160 PolarHBondContact O-N 2.9Å; H158-Q160 VanDerWaalsContact C-N 3.35Å; H158-Q160 PolarHBondContact O-N 3.21Å; Q160-V163 PolarHBondContact O-N 3.28Å; Q160-Q164 WeakPolarHBondContact O-CB 3.4Å; Q160-Q164 PolarHBondContact O-N 3.01Å |
| 161 | L | 95.3 | Very high | 95.6 | Very high | 88 Ų | 88 | 106.5 Ų | 106.5 | 46% | 0.461 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.6 | -36.4 | 176.5 | -72.9 | 169.2 | 0 | 0 | 0 | 112.1 | L157 H158 Q164 R165 | L157-L161 HydrophobicContact CG-CD1 4.2Å; L157-L161 WeakPolarHBondContact O-CB 3.29Å; L157-L161 VanDerWaalsContact O-CG 3.28Å; L157-L161 WeakPolarHBondContact O-CG 3.28Å; L157-L161 PolarHBondContact O-N 3.44Å; H158-L161 PolarHBondContact O-N 2.82Å; L161-Q164 PolarHBondContact O-N 3.13Å; L161-R165 VanDerWaalsContact O-CB 3.28Å; L161-R165 WeakPolarHBondContact O-CB 3.28Å; L161-R165 PolarHBondContact O-N 2.83Å |
| 162 | E | 96 | Very high | 95.8 | Very high | 129 Ų | 129 | 106.2 Ų | 106.2 | 60% | 0.603 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.8 | -43.2 | 174.7 | -173 | 173.8 | -159.4 | 0 | 0 | 111.7 | H158 E159 Q164 R165 H166 | H158-E162 PolarHBondContact O-N 2.98Å; E159-E162 PolarHBondContact O-N 3.43Å; E162-Q164 PolarHBondContact O-N 2.89Å; E162-R165 PolarHBondContact O-N 3.09Å; E162-H166 WeakPolarHBondContact O-CB 3.49Å; E162-H166 PolarHBondContact O-N 3.12Å |
| 163 | V | 96.8 | Very high | 95.9 | Very high | 89 Ų | 89 | 105.9 Ų | 105.9 | 54% | 0.539 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.9 | -45.4 | 173.1 | 170.4 | 0 | 0 | 0 | 0 | 111.1 | E159 Q160 H166 L167 | E159-V163 WeakPolarHBondContact O-CG2 3.26Å; E159-V163 PolarHBondContact O-N 2.98Å; E159-V163 VanDerWaalsContact O-N 3.09Å; Q160-V163 PolarHBondContact O-N 3.28Å; V163-H166 PolarHBondContact O-N 3.36Å; V163-L167 WeakPolarHBondContact O-CB 3.46Å; V163-L167 PolarHBondContact O-N 3.13Å |
| 164 | Q | 96.2 | Very high | 96 | Very high | 113 Ų | 113 | 107.5 Ų | 107.5 | 53% | 0.528 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.6 | -41.1 | 177 | -174.1 | 62.6 | 18.9 | 0 | 0 | 112 | Q160 L161 E162 L167 Q168 | Q160-Q164 WeakPolarHBondContact O-CB 3.4Å; Q160-Q164 PolarHBondContact O-N 3.01Å; L161-Q164 PolarHBondContact O-N 3.13Å; E162-Q164 PolarHBondContact O-N 2.89Å; Q164-L167 PolarHBondContact O-N 3.04Å; Q164-Q168 WeakPolarHBondContact O-CB 3.49Å; Q164-Q168 PolarHBondContact O-N 2.9Å |
| 165 | R | 95.2 | Very high | 96.2 | Very high | 148 Ų | 148 | 104.1 Ų | 104.1 | 56% | 0.558 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63 | -41.1 | 175.4 | -168.1 | -172 | -159.3 | -76.4 | 8.6 | 111.7 | L161 E162 M169 | L161-R165 VanDerWaalsContact O-CB 3.28Å; L161-R165 WeakPolarHBondContact O-CB 3.28Å; L161-R165 PolarHBondContact O-N 2.83Å; E162-R165 PolarHBondContact O-N 3.09Å; R165-M169 WeakPolarHBondContact O-CG 3.43Å; R165-M169 PolarHBondContact O-N 2.96Å |
| 166 | H | 97.7 | Very high | 96.3 | Very high | 106 Ų | 106 | 103.3 Ų | 103.3 | 49% | 0.491 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68 | -41.3 | 176.4 | -173.7 | 87.6 | 0 | 0 | 0 | 112 | E162 V163 M169 R170 | E162-H166 WeakPolarHBondContact O-CB 3.49Å; E162-H166 PolarHBondContact O-N 3.12Å; V163-H166 PolarHBondContact O-N 3.36Å; H166-M169 PolarHBondContact O-N 2.83Å; H166-R170 WeakPolarHBondContact NE2-CD 3.38Å; H166-R170 WeakPolarHBondContact O-CG 3.33Å; H166-R170 PolarHBondContact O-N 2.83Å; H166-R170 VanDerWaalsContact O-N 3.08Å |
| 167 | L | 97.9 | Very high | 96.4 | Very high | 77 Ų | 77 | 104.5 Ų | 104.5 | 40% | 0.403 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.2 | -46.9 | 173.7 | 179 | 59.6 | 0 | 0 | 0 | 111.5 | V163 Q164 M169 R170 I171 | V163-L167 WeakPolarHBondContact O-CB 3.46Å; V163-L167 PolarHBondContact O-N 3.13Å; Q164-L167 PolarHBondContact O-N 3.04Å; L167-M169 PolarHBondContact O-N 3.48Å; L167-R170 WeakPolarHBondContact O-CB 3.44Å; L167-R170 PolarHBondContact O-N 2.82Å; L167-R170 VanDerWaalsContact O-N 3.14Å; L167-I171 HydrophobicContact CD1-CD1 4.14Å; L167-I171 HydrophobicContact CD1-CG1 4.36Å; L167-I171 HydrophobicContact CG-CD1 4.08Å; L167-I171 WeakPolarHBondContact O-CG1 3.49Å; L167-I171 PolarHBondContact O-N 3.19Å |
| 168 | Q | 97.1 | Very high | 96.5 | Very high | 68 Ų | 68 | 102.8 Ų | 102.8 | 32% | 0.318 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -55.9 | -50.4 | 175.6 | 177.1 | 59.9 | 28.2 | 0 | 0 | 111.9 | Q164 R170 I171 E172 | Q164-Q168 WeakPolarHBondContact O-CB 3.49Å; Q164-Q168 PolarHBondContact O-N 2.9Å; Q168-R170 VanDerWaalsContact C-N 3.26Å; Q168-R170 PolarHBondContact O-N 3.36Å; Q168-I171 PolarHBondContact O-N 3.04Å; Q168-E172 PolarHBondContact NE2-OE1 3.08Å; Q168-E172 PolarHBondContact O-N 3.24Å |
| 169 | M | 96.2 | Very high | 96.6 | Very high | 90 Ų | 90 | 102.8 Ų | 102.8 | 44% | 0.443 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.3 | -35.2 | 177.2 | -71.1 | -171.8 | -58 | 0 | 0 | 112.8 | R165 H166 L167 A173 | R165-M169 WeakPolarHBondContact O-CG 3.43Å; R165-M169 PolarHBondContact O-N 2.96Å; H166-M169 PolarHBondContact O-N 2.83Å; L167-M169 PolarHBondContact O-N 3.48Å; M169-A173 WeakPolarHBondContact O-CB 3.27Å; M169-A173 PolarHBondContact O-N 2.84Å |
| 170 | R | 97.6 | Very high | 96.6 | Very high | 163 Ų | 163 | 100.1 Ų | 100.1 | 62% | 0.615 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -68.4 | -42.1 | 175.9 | -75.5 | -179 | 61.5 | -165.1 | -2.5 | 112.7 | H166 L167 Q168 A173 Q174 | H166-R170 WeakPolarHBondContact NE2-CD 3.38Å; H166-R170 WeakPolarHBondContact O-CG 3.33Å; H166-R170 PolarHBondContact O-N 2.83Å; H166-R170 VanDerWaalsContact O-N 3.08Å; L167-R170 WeakPolarHBondContact O-CB 3.44Å; L167-R170 PolarHBondContact O-N 2.82Å; L167-R170 VanDerWaalsContact O-N 3.14Å; Q168-R170 VanDerWaalsContact C-N 3.26Å; Q168-R170 PolarHBondContact O-N 3.36Å; R170-A173 PolarHBondContact O-N 2.82Å; R170-Q174 PolarHBondContact O-N 3.49Å |
| 171 | I | 95.9 | Very high | 96.6 | Very high | 67 Ų | 67 | 97.9 Ų | 97.9 | 34% | 0.344 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -68.7 | -39.1 | 178.4 | -56.5 | 163.1 | 0 | 0 | 0 | 110.2 | L167 Q168 A173 Q174 G175 L232 | L167-I171 HydrophobicContact CD1-CD1 4.14Å; L167-I171 HydrophobicContact CD1-CG1 4.36Å; L167-I171 HydrophobicContact CG-CD1 4.08Å; L167-I171 WeakPolarHBondContact O-CG1 3.49Å; L167-I171 PolarHBondContact O-N 3.19Å; Q168-I171 PolarHBondContact O-N 3.04Å; I171-A173 PolarHBondContact O-N 2.83Å; I171-Q174 PolarHBondContact O-N 3.33Å; I171-G175 PolarHBondContact O-N 3.15Å; I171-L232 HydrophobicContact CB-CD1 4.04Å; I171-L232 HydrophobicContact CD1-CD1 4.1Å; I171-L232 HydrophobicContact CG2-CD1 3.53Å; I171-L232 HydrophobicContact CG2-CG 4.4Å |
| 172 | E | 96.7 | Very high | 96.7 | Very high | 82 Ų | 82 | 97.9 Ų | 97.9 | 38% | 0.383 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.8 | -42.3 | 172.2 | -77 | -176.8 | -143.8 | 0 | 0 | 113.1 | Q168 Q174 G175 K176 | Q168-E172 PolarHBondContact NE2-OE1 3.08Å; Q168-E172 PolarHBondContact O-N 3.24Å; E172-Q174 VanDerWaalsContact C-N 3.34Å; E172-G175 PolarHBondContact O-N 3.45Å; E172-K176 WeakPolarHBondContact O-CB 3.42Å; E172-K176 WeakPolarHBondContact O-CD 3.14Å; E172-K176 VanDerWaalsContact O-CG 3.27Å; E172-K176 WeakPolarHBondContact O-CG 3.31Å; E172-K176 PolarHBondContact O-N 2.88Å; E172-K176 IonicContact OE2-NZ 3.61Å; E172-K176 PolarHBondContact OE2-NZ 2.73Å |
| 173 | A | 96.6 | Very high | 96.6 | Very high | 58 Ų | 58 | 98.3 Ų | 98.3 | 48% | 0.479 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | M169 R170 I171 Y177 | M169-A173 WeakPolarHBondContact O-CB 3.27Å; M169-A173 PolarHBondContact O-N 2.84Å; R170-A173 PolarHBondContact O-N 2.82Å; I171-A173 PolarHBondContact O-N 2.83Å; A173-Y177 WeakPolarHBondContact O-CB 3.36Å; A173-Y177 PolarHBondContact O-N 2.82Å |
| 174 | Q | 97.2 | Very high | 96.4 | Very high | 136 Ų | 136 | 100.7 Ų | 100.7 | 64% | 0.636 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.3 | -42.8 | 174.4 | -177.5 | -179.3 | -16.2 | 0 | 0 | 112.2 | R170 I171 E172 Y177 M178 | R170-Q174 PolarHBondContact O-N 3.49Å; I171-Q174 PolarHBondContact O-N 3.33Å; E172-Q174 VanDerWaalsContact C-N 3.34Å; Q174-Y177 PolarHBondContact O-N 2.88Å; Q174-M178 WeakPolarHBondContact O-CB 3.29Å; Q174-M178 PolarHBondContact O-N 3.49Å |
| 175 | G | 97 | Very high | 96.3 | Very high | 32 Ų | 32 | 97.5 Ų | 97.5 | 33% | 0.33 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.7 | -49 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I171 E172 Y177 M178 Q179 | I171-G175 PolarHBondContact O-N 3.15Å; E172-G175 PolarHBondContact O-N 3.45Å; G175-Y177 VanDerWaalsContact C-N 3.33Å; G175-Y177 PolarHBondContact O-N 3.33Å; G175-M178 PolarHBondContact O-N 2.77Å; G175-Q179 WeakPolarHBondContact O-CB 3.46Å; G175-Q179 PolarHBondContact O-N 2.92Å |
| 176 | K | 97 | Very high | 96.1 | Very high | 127 Ų | 127 | 98.4 Ų | 98.4 | 55% | 0.552 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -59.7 | -40.6 | 175.2 | -71.7 | 160 | -179.6 | 156.5 | 0 | 111.8 | E172 S180 | E172-K176 WeakPolarHBondContact O-CB 3.42Å; E172-K176 WeakPolarHBondContact O-CD 3.14Å; E172-K176 VanDerWaalsContact O-CG 3.27Å; E172-K176 WeakPolarHBondContact O-CG 3.31Å; E172-K176 PolarHBondContact O-N 2.88Å; E172-K176 IonicContact OE2-NZ 3.61Å; E172-K176 PolarHBondContact OE2-NZ 2.73Å; K176-S180 WeakPolarHBondContact O-CB 3.48Å; K176-S180 PolarHBondContact O-N 3.48Å |
| 177 | Y | 97.8 | Very high | 95.8 | Very high | 156 Ų | 156 | 99 Ų | 99 | 61% | 0.612 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.7 | -50.4 | 175.1 | 174.2 | -111.4 | 0 | 0 | 0 | 112.2 | A173 Q174 G175 Q179 S180 I181 | A173-Y177 WeakPolarHBondContact O-CB 3.36Å; A173-Y177 PolarHBondContact O-N 2.82Å; Q174-Y177 PolarHBondContact O-N 2.88Å; G175-Y177 VanDerWaalsContact C-N 3.33Å; G175-Y177 PolarHBondContact O-N 3.33Å; Y177-Q179 VanDerWaalsContact C-N 3.35Å; Y177-Q179 PolarHBondContact O-N 3.24Å; Y177-S180 PolarHBondContact O-N 3.36Å; Y177-S180 VanDerWaalsContact O-N 3.17Å; Y177-S180 PolarHBondContact O-OG 3.02Å; Y177-I181 HydrophobicContact CD1-CD1 4.01Å; Y177-I181 HydrophobicContact CD2-CD1 4.45Å; Y177-I181 HydrophobicContact CE1-CD1 3.54Å; Y177-I181 HydrophobicContact CE2-CD1 4.04Å; Y177-I181 HydrophobicContact CG-CD1 4.45Å; Y177-I181 PolarHBondContact O-N 3.38Å; Y177-I181 VanDerWaalsContact O-N 3.13Å |
| 178 | M | 97.1 | Very high | 95.3 | Very high | 74 Ų | 74 | 100.3 Ų | 100.3 | 37% | 0.365 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.8 | -43.8 | 177.3 | -175.9 | 171.1 | 71.2 | 0 | 0 | 111.8 | Q174 G175 S180 I181 L182 F229 | Q174-M178 WeakPolarHBondContact O-CB 3.29Å; Q174-M178 PolarHBondContact O-N 3.49Å; G175-M178 PolarHBondContact O-N 2.77Å; M178-S180 VanDerWaalsContact C-N 3.32Å; M178-S180 PolarHBondContact O-N 3.34Å; M178-I181 PolarHBondContact O-N 2.91Å; M178-I181 VanDerWaalsContact O-N 3.16Å; M178-L182 HydrophobicContact CG-CD1 4.27Å; M178-L182 WeakPolarHBondContact O-CG 3.28Å; M178-L182 PolarHBondContact O-N 3.44Å; M178-F229 HydrophobicContact CE-CD2 4.35Å; M178-F229 HydrophobicContact CE-CG 4.29Å |
| 179 | Q | 96 | Very high | 94.7 | Very high | 134 Ų | 134 | 102.9 Ų | 102.9 | 63% | 0.626 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -58.8 | -42.6 | 175.6 | -168.7 | 171.2 | 14.1 | 0 | 0 | 111.6 | G175 Y177 I181 L182 E183 | G175-Q179 WeakPolarHBondContact O-CB 3.46Å; G175-Q179 PolarHBondContact O-N 2.92Å; Y177-Q179 VanDerWaalsContact C-N 3.35Å; Y177-Q179 PolarHBondContact O-N 3.24Å; Q179-I181 VanDerWaalsContact C-N 3.31Å; Q179-I181 PolarHBondContact O-N 3.16Å; Q179-L182 PolarHBondContact O-N 2.97Å; Q179-E183 WeakPolarHBondContact O-CB 3.32Å; Q179-E183 PolarHBondContact O-N 3.5Å |
| 180 | S | 96.2 | Very high | 93.9 | Very high | 36 Ų | 36 | 102.5 Ų | 102.5 | 25% | 0.252 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.7 | -25.4 | 177.4 | 82.3 | 0 | 0 | 0 | 0 | 114.3 | K176 Y177 M178 K184 | K176-S180 WeakPolarHBondContact O-CB 3.48Å; K176-S180 PolarHBondContact O-N 3.48Å; Y177-S180 PolarHBondContact O-N 3.36Å; Y177-S180 VanDerWaalsContact O-N 3.17Å; Y177-S180 PolarHBondContact O-OG 3.02Å; M178-S180 VanDerWaalsContact C-N 3.32Å; M178-S180 PolarHBondContact O-N 3.34Å; S180-K184 WeakPolarHBondContact O-CB 3.39Å; S180-K184 VanDerWaalsContact O-CD 3.3Å; S180-K184 WeakPolarHBondContact O-CD 3.42Å; S180-K184 WeakPolarHBondContact O-CG 3.45Å; S180-K184 PolarHBondContact O-N 2.99Å |
| 181 | I | 96 | Very high | 92.5 | Very high | 82 Ų | 82 | 99.3 Ų | 99.3 | 42% | 0.421 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -75 | -46.7 | 172.8 | -68.6 | 163 | 0 | 0 | 0 | 109.7 | Y177 M178 Q179 K184 A185 | Y177-I181 HydrophobicContact CD1-CD1 4.01Å; Y177-I181 HydrophobicContact CD2-CD1 4.45Å; Y177-I181 HydrophobicContact CE1-CD1 3.54Å; Y177-I181 HydrophobicContact CE2-CD1 4.04Å; Y177-I181 HydrophobicContact CG-CD1 4.45Å; Y177-I181 PolarHBondContact O-N 3.38Å; Y177-I181 VanDerWaalsContact O-N 3.13Å; M178-I181 PolarHBondContact O-N 2.91Å; M178-I181 VanDerWaalsContact O-N 3.16Å; Q179-I181 VanDerWaalsContact C-N 3.31Å; Q179-I181 PolarHBondContact O-N 3.16Å; I181-K184 PolarHBondContact O-N 3.49Å; I181-A185 WeakPolarHBondContact O-CB 3.41Å; I181-A185 PolarHBondContact O-N 3.21Å |
| 182 | L | 96.1 | Very high | 90.8 | Very high | 88 Ų | 88 | 98.7 Ų | 98.7 | 46% | 0.461 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.5 | -46 | 178.9 | -67.9 | 171.3 | 0 | 0 | 0 | 111.1 | M178 Q179 K184 A185 Y186 | M178-L182 HydrophobicContact CG-CD1 4.27Å; M178-L182 WeakPolarHBondContact O-CG 3.28Å; M178-L182 PolarHBondContact O-N 3.44Å; Q179-L182 PolarHBondContact O-N 2.97Å; L182-K184 PolarHBondContact O-N 3.38Å; L182-A185 PolarHBondContact O-N 3.29Å; L182-Y186 HydrophobicContact CB-CE2 4.48Å; L182-Y186 WeakPolarHBondContact O-CD2 3.27Å; L182-Y186 PolarHBondContact O-N 3.18Å |
| 183 | E | 94.2 | Very high | 88.7 | Confident | 138 Ų | 138 | 102 Ų | 102 | 65% | 0.645 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -57.1 | -46 | 175.6 | -177.1 | 176.4 | -144 | 0 | 0 | 112 | Q179 A185 Y186 Q187 | Q179-E183 WeakPolarHBondContact O-CB 3.32Å; Q179-E183 PolarHBondContact O-N 3.5Å; E183-A185 PolarHBondContact O-N 2.96Å; E183-Y186 PolarHBondContact O-N 3.21Å; E183-Q187 WeakPolarHBondContact O-CB 3.47Å; E183-Q187 PolarHBondContact O-N 2.9Å |
| 184 | K | 92.7 | Very high | 86.5 | Confident | 139 Ų | 139 | 107.3 Ų | 107.3 | 60% | 0.604 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -62.8 | -41.9 | 175.2 | -75 | 168.9 | -173.5 | 166.8 | 0 | 112.4 | S180 I181 L182 Q187 T188 | S180-K184 WeakPolarHBondContact O-CB 3.39Å; S180-K184 VanDerWaalsContact O-CD 3.3Å; S180-K184 WeakPolarHBondContact O-CD 3.42Å; S180-K184 WeakPolarHBondContact O-CG 3.45Å; S180-K184 PolarHBondContact O-N 2.99Å; I181-K184 PolarHBondContact O-N 3.49Å; L182-K184 PolarHBondContact O-N 3.38Å; K184-Q187 PolarHBondContact O-N 3.47Å; K184-T188 WeakPolarHBondContact O-CB 3.41Å; K184-T188 PolarHBondContact O-N 3.17Å; K184-T188 PolarHBondContact O-OG1 2.65Å |
| 185 | A | 94 | Very high | 84.1 | Confident | 46 Ų | 46 | 105.2 Ų | 105.2 | 38% | 0.38 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.6 | -47.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | I181 L182 E183 Q187 T188 I189 | I181-A185 WeakPolarHBondContact O-CB 3.41Å; I181-A185 PolarHBondContact O-N 3.21Å; L182-A185 PolarHBondContact O-N 3.29Å; E183-A185 PolarHBondContact O-N 2.96Å; A185-Q187 VanDerWaalsContact C-N 3.34Å; A185-Q187 PolarHBondContact O-N 2.79Å; A185-T188 PolarHBondContact O-N 2.94Å; A185-I189 WeakPolarHBondContact O-CG1 3.42Å; A185-I189 PolarHBondContact O-N 2.84Å |
| 186 | Y | 91.6 | Very high | 81.6 | Confident | 168 Ų | 168 | 108.5 Ų | 108.5 | 66% | 0.659 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -59.8 | -42.3 | 174.4 | -78.8 | -63 | 0 | 0 | 0 | 112.1 | L182 E183 I189 A190 | L182-Y186 HydrophobicContact CB-CE2 4.48Å; L182-Y186 WeakPolarHBondContact O-CD2 3.27Å; L182-Y186 PolarHBondContact O-N 3.18Å; E183-Y186 PolarHBondContact O-N 3.21Å; Y186-I189 PolarHBondContact O-N 3.26Å; Y186-A190 VanDerWaalsContact O-CB 3.32Å; Y186-A190 WeakPolarHBondContact O-CB 3.39Å; Y186-A190 PolarHBondContact O-N 3.05Å |
| 187 | Q | 90.6 | Very high | 79.1 | Confident | 118 Ų | 118 | 108.7 Ų | 108.7 | 55% | 0.551 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -66.2 | -39.2 | 177.4 | -173.3 | 60.7 | 83.9 | 0 | 0 | 112.3 | E183 K184 A185 I189 A190 T191 | E183-Q187 WeakPolarHBondContact O-CB 3.47Å; E183-Q187 PolarHBondContact O-N 2.9Å; K184-Q187 PolarHBondContact O-N 3.47Å; A185-Q187 VanDerWaalsContact C-N 3.34Å; A185-Q187 PolarHBondContact O-N 2.79Å; Q187-I189 VanDerWaalsContact C-N 3.34Å; Q187-A190 PolarHBondContact O-N 3.49Å; Q187-T191 PolarHBondContact NE2-OG1 2.93Å; Q187-T191 WeakPolarHBondContact O-CB 3.35Å; Q187-T191 PolarHBondContact O-N 3.19Å; Q187-T191 PolarHBondContact O-OG1 3.2Å; Q187-T191 VanDerWaalsContact O-OG1 3.09Å |
| 188 | T | 87.2 | Confident | 76.4 | Confident | 104 Ų | 104 | 106.6 Ų | 106.6 | 64% | 0.638 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -62.8 | -40 | 174.7 | -62.5 | 0 | 0 | 0 | 0 | 111.8 | K184 A185 G192 | K184-T188 WeakPolarHBondContact O-CB 3.41Å; K184-T188 PolarHBondContact O-N 3.17Å; K184-T188 PolarHBondContact O-OG1 2.65Å; A185-T188 PolarHBondContact O-N 2.94Å; T188-G192 PolarHBondContact O-N 2.94Å; T188-G192 VanDerWaalsContact O-N 3.16Å |
| 189 | I | 86 | Confident | 74 | Confident | 122 Ų | 122 | 108.2 Ų | 108.2 | 63% | 0.626 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -66.7 | -49.6 | 174.4 | -64.7 | 163 | 0 | 0 | 0 | 110.2 | A185 Y186 Q187 T191 G192 | A185-I189 WeakPolarHBondContact O-CG1 3.42Å; A185-I189 PolarHBondContact O-N 2.84Å; Y186-I189 PolarHBondContact O-N 3.26Å; Q187-I189 VanDerWaalsContact C-N 3.34Å; I189-T191 VanDerWaalsContact C-N 3.25Å; I189-T191 PolarHBondContact O-N 3.49Å; I189-G192 PolarHBondContact O-N 3.28Å |
| 190 | A | 78 | Confident | 71.4 | Confident | 82 Ų | 82 | 108.9 Ų | 108.9 | 68% | 0.678 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -64.4 | -24.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y186 Q187 | Y186-A190 VanDerWaalsContact O-CB 3.32Å; Y186-A190 WeakPolarHBondContact O-CB 3.39Å; Y186-A190 PolarHBondContact O-N 3.05Å; Q187-A190 PolarHBondContact O-N 3.49Å |
| 191 | T | 69.2 | Low | 68.8 | Low | 96 Ų | 96 | 111.8 Ų | 111.8 | 59% | 0.589 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -94.8 | -11 | 175.3 | -55.4 | 0 | 0 | 0 | 0 | 113 | Q187 I189 D193 | Q187-T191 PolarHBondContact NE2-OG1 2.93Å; Q187-T191 WeakPolarHBondContact O-CB 3.35Å; Q187-T191 PolarHBondContact O-N 3.19Å; Q187-T191 PolarHBondContact O-OG1 3.2Å; Q187-T191 VanDerWaalsContact O-OG1 3.09Å; I189-T191 VanDerWaalsContact C-N 3.25Å; I189-T191 PolarHBondContact O-N 3.49Å; T191-D193 PolarHBondContact O-N 3.04Å |
| 192 | G | 59.5 | Low | 66.3 | Low | 55 Ų | 55 | 112.2 Ų | 112.2 | 57% | 0.567 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -72.6 | -29.9 | -165.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | T188 I189 L194 | T188-G192 PolarHBondContact O-N 2.94Å; T188-G192 VanDerWaalsContact O-N 3.16Å; I189-G192 PolarHBondContact O-N 3.28Å; G192-L194 PolarHBondContact O-N 2.91Å |
| 193 | D | 52.3 | Low | 63.5 | Low | 152 Ų | 152 | 111.8 Ų | 111.8 | 81% | 0.813 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -0.8 | -161.4 | -93.8 | -37 | 0 | 0 | 0 | 116.9 | T191 | T191-D193 PolarHBondContact O-N 3.04Š|
| 194 | L | 50.8 | Low | 61.4 | Low | 168 Ų | 168 | 116 Ų | 116 | 88% | 0.88 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -129 | -3.8 | -170.2 | -95.3 | 94 | 0 | 0 | 0 | 118.5 | G192 | G192-L194 PolarHBondContact O-N 2.91Š|
| 195 | A | 46.4 | Very low | 59.1 | Low | 93 Ų | 93 | 119.4 Ų | 119.4 | 77% | 0.769 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -148.6 | 47.7 | -164.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||
| 196 | A | 45 | Very low | 56.6 | Low | 100 Ų | 100 | 122.1 Ų | 122.1 | 83% | 0.826 | 75% | 0.751 | S | S | * | * | trans | -157.9 | 55.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | S198 | A196-S198 PolarHBondContact O-N 2.85Š| ||
| 197 | C | 43.7 | Very low | 54.6 | Low | 132 Ų | 132 | 121.3 Ų | 121.3 | 89% | 0.892 | 76% | 0.757 | S | S | * | * | trans | -88.1 | 84.4 | 174.6 | -168.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 198 | S | 42.7 | Very low | 52.4 | Low | 112 Ų | 112 | 124 Ų | 124 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | trans | -163.9 | 154.3 | 158.2 | -89.4 | 0 | 0 | 0 | 0 | 112.5 | A196 | A196-S198 PolarHBondContact O-N 2.85Š| ||
| 199 | P | 44.9 | Very low | 50 | Low | 108 Ų | 108 | 122.3 Ų | 122.3 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | trans | -107.4 | 137 | -146.2 | 36.8 | -32.3 | 0 | 0 | 0 | 116.4 | A201 | P199-A201 HydrophobicContact CB-CB 4.15Š| ||
| 200 | V | 42.3 | Very low | 48.2 | Very low | 147 Ų | 147 | 122.6 Ų | 122.6 | 89% | 0.891 | 78% | 0.78 | S | S | * | * | trans | -109.4 | 75.8 | 150.1 | -179.3 | 0 | 0 | 0 | 0 | 107.8 | A202 | V200-A202 PolarHBondContact O-N 3.01Š| ||
| 201 | A | 41.8 | Very low | 46.4 | Very low | 98 Ų | 98 | 125 Ų | 125 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | -95.3 | 54.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | P199 | P199-A201 HydrophobicContact CB-CB 4.15Š| ||
| 202 | A | 42.3 | Very low | 44.9 | Very low | 91 Ų | 91 | 128.4 Ų | 128.4 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | trans | -150.1 | 120.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | V200 | V200-A202 PolarHBondContact O-N 3.01Š| ||
| 203 | G | 38.7 | Very low | 44.1 | Very low | 79 Ų | 79 | 130.8 Ų | 130.8 | 81% | 0.814 | 81% | 0.813 | S | S | * | * | S | Bend | trans | 176.4 | -83.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 204 | Y | 50.5 | Low | 43.6 | Very low | 226 Ų | 226 | 131.6 Ų | 131.6 | 89% | 0.886 | 81% | 0.814 | S | S | * | * | trans | -119.3 | 98.9 | -167.6 | 57.8 | -81.1 | 0 | 0 | 0 | 113 | ||||
| 205 | K | 43.9 | Very low | 43.3 | Very low | 210 Ų | 210 | 131 Ų | 131 | 91% | 0.913 | 81% | 0.811 | S | S | * | * | trans | -103.9 | 86.4 | 162.7 | -81.2 | -175.1 | 176.2 | -69.3 | 0 | 109.7 | ||||
| 206 | S | 41.4 | Very low | 43 | Very low | 104 Ų | 104 | 134.1 Ų | 134.1 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | trans | -167.5 | 155.3 | 155.8 | -145.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 207 | L | 48.9 | Very low | 43.1 | Very low | 150 Ų | 150 | 134.3 Ų | 134.3 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | 67.4 | 113.3 | 165.8 | -57.5 | 170.5 | 0 | 0 | 0 | 118.6 | ||||
| 208 | L | 44.6 | Very low | 42.8 | Very low | 175 Ų | 175 | 134.7 Ų | 134.7 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | trans | 62.8 | 145.2 | 167.4 | -79.1 | 60.6 | 0 | 0 | 0 | 116.8 | ||||
| 209 | G | 36.7 | Very low | 42.6 | Very low | 69 Ų | 69 | 134 Ų | 134 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | cis | 160.8 | 110.6 | -9.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 210 | N | 47.9 | Very low | 42.4 | Very low | 128 Ų | 128 | 136.2 Ų | 136.2 | 68% | 0.684 | 81% | 0.808 | S | S | * | * | trans | 67.8 | 107.4 | 174.6 | -168 | 55.5 | 0 | 0 | 0 | 118.5 | ||||
| 211 | P | 41.9 | Very low | 42.3 | Very low | 133 Ų | 133 | 138.8 Ų | 138.8 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | trans | -104 | 73.2 | 173 | 38.3 | -29.5 | 0 | 0 | 0 | 112.3 | ||||
| 212 | Q | 37.4 | Very low | 42.2 | Very low | 166 Ų | 166 | 140.2 Ų | 140.2 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -147.9 | 58.7 | -176.2 | -155 | 164.9 | -5.2 | 0 | 0 | 114.4 | ||||
| 213 | A | 43 | Very low | 42 | Very low | 106 Ų | 106 | 144.2 Ų | 144.2 | 88% | 0.876 | 81% | 0.806 | S | S | * | * | trans | -151.6 | 57.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 214 | M | 40.9 | Very low | 42 | Very low | 168 Ų | 168 | 145.2 Ų | 145.2 | 83% | 0.828 | 81% | 0.807 | S | S | * | * | trans | -91.2 | 149 | 166.2 | -178.6 | 178.8 | 143.1 | 0 | 0 | 108.6 | ||||
| 215 | L | 44.6 | Very low | 41.6 | Very low | 156 Ų | 156 | 140 Ų | 140 | 82% | 0.817 | 80% | 0.801 | S | S | * | * | trans | 77 | 82.6 | -175.5 | -46.1 | 172.9 | 0 | 0 | 0 | 114.7 | ||||
| 216 | D | 40 | Very low | 41.3 | Very low | 159 Ų | 159 | 135.2 Ų | 135.2 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | -144 | 149.7 | 119.6 | -152 | 10.4 | 0 | 0 | 0 | 113 | |||||
| 217 | V | 47 | Very low | 41.6 | Very low | 104 Ų | 104 | 139.1 Ų | 139.1 | 63% | 0.63 | 80% | 0.803 | S | S | * | * | trans | -42.9 | 143.5 | -167 | 162.8 | 0 | 0 | 0 | 0 | 119.2 | S219 | V217-S219 WeakPolarHBondContact CG1-OG 3.29Å; V217-S219 PolarHBondContact O-N 3.23Å | ||
| 218 | C | 36.4 | Very low | 41.1 | Very low | 139 Ų | 139 | 134.6 Ų | 134.6 | 94% | 0.939 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -64.1 | 83.8 | 158.4 | -56.4 | 0 | 0 | 0 | 0 | 111.9 | ||
| 219 | S | 38.6 | Very low | 41 | Very low | 98 Ų | 98 | 134.4 Ų | 134.4 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | trans | -154.4 | 73 | 172.1 | -73.5 | 0 | 0 | 0 | 0 | 113.2 | V217 | V217-S219 WeakPolarHBondContact CG1-OG 3.29Å; V217-S219 PolarHBondContact O-N 3.23Å | ||
| 220 | L | 41.4 | Very low | 41.6 | Very low | 154 Ų | 154 | 136.2 Ų | 136.2 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | trans | -139 | 66.6 | 161.2 | -164.4 | 68.5 | 0 | 0 | 0 | 109.8 | D222 | L220-D222 WeakPolarHBondContact CD1-O 3.37Š| ||
| 221 | K | 40.2 | Very low | 41.4 | Very low | 201 Ų | 201 | 132.5 Ų | 132.5 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -100.2 | -0.9 | 175.8 | -170.5 | 157 | -179.5 | 171.3 | 0 | 113.2 | ||
| 222 | D | 39.7 | Very low | 41.7 | Very low | 129 Ų | 129 | 130.5 Ų | 130.5 | 69% | 0.69 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -129.1 | 162.4 | 173.2 | -63.7 | -87.2 | 0 | 0 | 0 | 108.1 | L220 | L220-D222 WeakPolarHBondContact CD1-O 3.37Š|
| 223 | M | 38.6 | Very low | 42.3 | Very low | 174 Ų | 174 | 129.9 Ų | 129.9 | 86% | 0.857 | 75% | 0.746 | S | S | * | * | trans | 72.2 | 52 | -176.4 | -51.6 | -62.6 | 174.3 | 0 | 0 | 116.6 | ||||
| 224 | A | 38.1 | Very low | 42.3 | Very low | 100 Ų | 100 | 129.1 Ų | 129.1 | 83% | 0.826 | 73% | 0.728 | S | S | * | * | trans | -128.9 | 89.3 | 162.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S226 | A224-S226 PolarHBondContact O-N 3.2Š| ||
| 225 | P | 41.7 | Very low | 42.5 | Very low | 118 Ų | 118 | 128.4 Ų | 128.4 | 77% | 0.766 | 73% | 0.727 | S | S | * | * | trans | -75.7 | 120.6 | 178.3 | 30 | -33.1 | 0 | 0 | 0 | 111.9 | M227 | P225-M227 PolarHBondContact O-N 3.46Š| ||
| 226 | S | 38.9 | Very low | 42.6 | Very low | 108 Ų | 108 | 127.4 Ų | 127.4 | 76% | 0.755 | 72% | 0.717 | S | S | * | * | trans | 50.1 | 57.9 | 150.4 | -167.3 | 0 | 0 | 0 | 0 | 118.1 | A224 G228 | A224-S226 PolarHBondContact O-N 3.2Å; S226-G228 PolarHBondContact O-N 3.01Å | ||
| 227 | M | 46.6 | Very low | 43 | Very low | 186 Ų | 186 | 126.8 Ų | 126.8 | 92% | 0.916 | 71% | 0.711 | S | S | * | * | trans | -88.6 | 20.8 | 162.5 | -75.2 | -66.7 | -68.8 | 0 | 0 | 113.2 | P225 | P225-M227 PolarHBondContact O-N 3.46Š| ||
| 228 | G | 39.3 | Very low | 42.8 | Very low | 56 Ų | 56 | 133.2 Ų | 133.2 | 58% | 0.577 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 124.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | S226 | S226-G228 PolarHBondContact O-N 3.01Š|
| 229 | F | 42.6 | Very low | 42.6 | Very low | 171 Ų | 171 | 129.7 Ų | 129.7 | 75% | 0.75 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 130.9 | 161 | -88.7 | -97.8 | 0 | 0 | 0 | 108.3 | M178 S231 | M178-F229 HydrophobicContact CE-CD2 4.35Å; M178-F229 HydrophobicContact CE-CG 4.29Å; F229-S231 PolarHBondContact O-N 3.48Å |
| 230 | P | 48 | Very low | 42.3 | Very low | 106 Ų | 106 | 129 Ų | 129 | 69% | 0.688 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 133.4 | 173.7 | 26.5 | -33.4 | 0 | 0 | 0 | 109.2 | ||
| 231 | S | 43.9 | Very low | 41.8 | Very low | 50 Ų | 50 | 125.2 Ų | 125.2 | 35% | 0.35 | 72% | 0.72 | S | S | . | * | P | Polyproline II helix | trans | -65.2 | 147.6 | 169.9 | -177.4 | 0 | 0 | 0 | 0 | 108.7 | F229 Q233 D234 | F229-S231 PolarHBondContact O-N 3.48Å; S231-Q233 PolarHBondContact O-N 3.34Å; S231-Q233 WeakPolarHBondContact OG-CB 3.44Å; S231-Q233 WeakPolarHBondContact OG-CG 3.47Å; S231-Q233 PolarHBondContact OG-N 3Å; S231-D234 WeakPolarHBondContact CA-OD2 3.05Å; S231-D234 VanDerWaalsContact CB-OD2 3.3Å; S231-D234 WeakPolarHBondContact CB-OD2 3.34Å; S231-D234 PolarHBondContact N-OD2 3.28Å; S231-D234 WeakPolarHBondContact O-CB 3.47Å; S231-D234 PolarHBondContact O-N 2.95Å |
| 232 | L | 48 | Very low | 41.4 | Very low | 91 Ų | 91 | 118.6 Ų | 118.6 | 48% | 0.476 | 71% | 0.709 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.6 | -15.2 | 168.8 | -90.6 | -176.6 | 0 | 0 | 0 | 112.6 | I171 | I171-L232 HydrophobicContact CB-CD1 4.04Å; I171-L232 HydrophobicContact CD1-CD1 4.1Å; I171-L232 HydrophobicContact CG2-CD1 3.53Å; I171-L232 HydrophobicContact CG2-CG 4.4Å |
| 233 | Q | 50.5 | Low | 41 | Very low | 153 Ų | 153 | 116.9 Ų | 116.9 | 72% | 0.715 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -27.9 | 173.9 | -61.2 | 165.4 | 5.9 | 0 | 0 | 112.3 | S231 L235 H236 | S231-Q233 PolarHBondContact O-N 3.34Å; S231-Q233 WeakPolarHBondContact OG-CB 3.44Å; S231-Q233 WeakPolarHBondContact OG-CG 3.47Å; S231-Q233 PolarHBondContact OG-N 3Å; Q233-L235 VanDerWaalsContact C-N 3.33Å; Q233-L235 PolarHBondContact O-N 3.49Å; Q233-H236 WeakPolarHBondContact O-CB 3.37Å; Q233-H236 PolarHBondContact O-N 3.27Å |
| 234 | D | 42.6 | Very low | 41.1 | Very low | 90 Ų | 90 | 115 Ų | 115 | 48% | 0.481 | 71% | 0.71 | S | S | . | * | G | 310 helix | trans | -74.6 | -24.2 | -175.7 | -58.7 | -41.2 | 0 | 0 | 0 | 112.4 | S231 H236 M237 | S231-D234 WeakPolarHBondContact CA-OD2 3.05Å; S231-D234 VanDerWaalsContact CB-OD2 3.3Å; S231-D234 WeakPolarHBondContact CB-OD2 3.34Å; S231-D234 PolarHBondContact N-OD2 3.28Å; S231-D234 WeakPolarHBondContact O-CB 3.47Å; S231-D234 PolarHBondContact O-N 2.95Å; D234-H236 PolarHBondContact O-N 3.43Å; D234-H236 VanDerWaalsContact O-N 3.12Å; D234-M237 WeakPolarHBondContact O-CB 3.37Å; D234-M237 PolarHBondContact O-N 2.8Å |
| 235 | L | 45.9 | Very low | 41.1 | Very low | 154 Ų | 154 | 115.3 Ų | 115.3 | 81% | 0.806 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -65 | -13.5 | 174.9 | -159.4 | 69.4 | 0 | 0 | 0 | 112.6 | Q233 | Q233-L235 VanDerWaalsContact C-N 3.33Å; Q233-L235 PolarHBondContact O-N 3.49Å |
| 236 | H | 47.6 | Very low | 41.2 | Very low | 135 Ų | 135 | 117.3 Ų | 117.3 | 63% | 0.625 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -81.9 | -9.8 | 177.8 | -131 | 165.2 | 0 | 0 | 0 | 113.5 | Q233 D234 Y238 G239 | Q233-H236 WeakPolarHBondContact O-CB 3.37Å; Q233-H236 PolarHBondContact O-N 3.27Å; D234-H236 PolarHBondContact O-N 3.43Å; D234-H236 VanDerWaalsContact O-N 3.12Å; H236-Y238 VanDerWaalsContact C-N 3.33Å; H236-Y238 PolarHBondContact O-N 2.64Å; H236-G239 PolarHBondContact O-N 3.32Å |
| 237 | M | 47.3 | Very low | 41.1 | Very low | 146 Ų | 146 | 117.9 Ų | 117.9 | 72% | 0.719 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -3.7 | -167.4 | -68.3 | -70.1 | 94.2 | 0 | 0 | 116.7 | D234 | D234-M237 WeakPolarHBondContact O-CB 3.37Å; D234-M237 PolarHBondContact O-N 2.8Å |
| 238 | Y | 43.5 | Very low | 40.7 | Very low | 238 Ų | 238 | 113.7 Ų | 113.7 | 93% | 0.933 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | 0 | 172.7 | -86.3 | -86.4 | 0 | 0 | 0 | 114.3 | H236 G240 | H236-Y238 VanDerWaalsContact C-N 3.33Å; H236-Y238 PolarHBondContact O-N 2.64Å; Y238-G240 PolarHBondContact O-N 2.76Å |
| 239 | G | 32.5 | Very low | 40.8 | Very low | 65 Ų | 65 | 118.1 Ų | 118.1 | 67% | 0.67 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -89.4 | 85.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | H236 | H236-G239 PolarHBondContact O-N 3.32Š|
| 240 | G | 31 | Very low | 40.8 | Very low | 83 Ų | 83 | 117.5 Ų | 117.5 | 86% | 0.856 | 69% | 0.689 | S | S | * | * | trans | -75.8 | 131.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y238 | Y238-G240 PolarHBondContact O-N 2.76Š| ||
| 241 | G | 30.6 | Very low | 40.3 | Very low | 76 Ų | 76 | 118.1 Ų | 118.1 | 78% | 0.784 | 68% | 0.683 | S | S | * | * | trans | 116.3 | 130.1 | 153.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 242 | G | 32 | Very low | 40 | Very low | 62 Ų | 62 | 122.4 Ų | 122.4 | 64% | 0.639 | 70% | 0.699 | S | S | * | * | trans | 83.6 | 90.1 | 157.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | H244 | G242-H244 PolarHBondContact O-N 2.93Å; G242-H244 VanDerWaalsContact O-N 3.08Å; G242-H244 PolarHBondContact O-ND1 3.49Å | ||
| 243 | G | 33 | Very low | 39.7 | Very low | 92 Ų | 92 | 126 Ų | 126 | 95% | 0.948 | 71% | 0.713 | S | S | * | * | trans | -63.7 | 107.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 244 | H | 39.1 | Very low | 39.1 | Very low | 135 Ų | 135 | 128.2 Ų | 128.2 | 63% | 0.625 | 72% | 0.715 | S | S | * | * | trans | -145.9 | 3 | 168.3 | 68.2 | -74.6 | 0 | 0 | 0 | 113.4 | G242 L246 | G242-H244 PolarHBondContact O-N 2.93Å; G242-H244 VanDerWaalsContact O-N 3.08Å; G242-H244 PolarHBondContact O-ND1 3.49Å; H244-L246 PolarHBondContact O-N 3.24Å | ||
| 245 | C | 38.5 | Very low | 39 | Very low | 107 Ų | 107 | 128.3 Ų | 128.3 | 72% | 0.723 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | 46 | -166.8 | -165.8 | 0 | 0 | 0 | 0 | 114.7 | ||
| 246 | L | 44.5 | Very low | 38.6 | Very low | 160 Ų | 160 | 125.8 Ų | 125.8 | 84% | 0.838 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.7 | -17.3 | 167.4 | -74.4 | 177.4 | 0 | 0 | 0 | 113.7 | H244 | H244-L246 PolarHBondContact O-N 3.24Š|
| 247 | D | 37.2 | Very low | 38.2 | Very low | 119 Ų | 119 | 126.6 Ų | 126.6 | 64% | 0.636 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | -37 | -176.5 | -160.2 | 61.7 | 0 | 0 | 0 | 112.7 | Q249 Q250 | D247-Q249 PolarHBondContact O-N 3.15Å; D247-Q249 VanDerWaalsContact O-N 3.13Å; D247-Q250 PolarHBondContact O-N 3.13Å |
| 248 | L | 37.2 | Very low | 38 | Very low | 98 Ų | 98 | 123.6 Ų | 123.6 | 51% | 0.513 | 71% | 0.708 | S | S | . | * | H | α-helix | trans | -65 | -24.4 | -171.8 | -160.5 | 64.8 | 0 | 0 | 0 | 114 | Q250 Q251 | L248-Q250 VanDerWaalsContact C-N 3.26Å; L248-Q250 PolarHBondContact O-N 3.42Å; L248-Q251 PolarHBondContact O-N 3.32Å |
| 249 | Q | 41.9 | Very low | 37.9 | Very low | 150 Ų | 150 | 119 Ų | 119 | 70% | 0.701 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -67.1 | -25.4 | 176.6 | -173.4 | 60.2 | 83.1 | 0 | 0 | 112.7 | D247 | D247-Q249 PolarHBondContact O-N 3.15Å; D247-Q249 VanDerWaalsContact O-N 3.13Å |
| 250 | Q | 42.4 | Very low | 38.4 | Very low | 158 Ų | 158 | 122.2 Ų | 122.2 | 74% | 0.738 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -95.1 | -16.1 | -177.3 | -126.9 | 169.6 | 105.3 | 0 | 0 | 113 | D247 L248 | D247-Q250 PolarHBondContact O-N 3.13Å; L248-Q250 VanDerWaalsContact C-N 3.26Å; L248-Q250 PolarHBondContact O-N 3.42Å |
| 251 | Q | 36.7 | Very low | 39.1 | Very low | 119 Ų | 119 | 122 Ų | 122 | 56% | 0.556 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -79.6 | -26.8 | -179.2 | -173.2 | 157.2 | -112.2 | 0 | 0 | 113.4 | L248 | L248-Q251 PolarHBondContact O-N 3.32Å |
| 252 | M | 38.5 | Very low | 39.5 | Very low | 140 Ų | 140 | 123 Ų | 123 | 69% | 0.69 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -4.9 | -175.2 | -61.8 | -146.8 | -61.4 | 0 | 0 | 115.7 | ||
| 253 | E | 40.6 | Very low | 39.7 | Very low | 166 Ų | 166 | 124.7 Ų | 124.7 | 78% | 0.776 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | 0.4 | 172.2 | -72.9 | -152.6 | 142.2 | 0 | 0 | 113.9 | ||
| 254 | R | 38.9 | Very low | 39.7 | Very low | 200 Ų | 200 | 127.3 Ų | 127.3 | 76% | 0.755 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -69.6 | 125.7 | 174.7 | -87.1 | -172.4 | 162 | 95 | -0.3 | 110.9 | ||
| 255 | P | 39.5 | Very low | 39.5 | Very low | 91 Ų | 91 | 128.6 Ų | 128.6 | 59% | 0.591 | 68% | 0.677 | S | S | * | * | trans | -66.7 | 161.5 | 178.9 | 27.9 | -34.8 | 0 | 0 | 0 | 112.2 | E257 | P255-E257 PolarHBondContact O-N 2.82Š| ||
| 256 | M | 39.3 | Very low | 39.3 | Very low | 102 Ų | 102 | 126.7 Ų | 126.7 | 50% | 0.502 | 68% | 0.676 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.1 | 3.4 | -167.2 | -164 | 175.6 | -76.6 | 0 | 0 | 116 | A258 F259 F260 | M256-A258 VanDerWaalsContact C-N 3.27Å; M256-A258 PolarHBondContact O-N 3.24Å; M256-F259 HydrophobicContact CG-CB 4.13Å; M256-F259 WeakPolarHBondContact O-CB 3.33Å; M256-F259 PolarHBondContact O-N 2.81Å; M256-F260 HydrophobicContact CG-CE2 4.06Å; M256-F260 WeakPolarHBondContact O-CD2 3.36Å; M256-F260 HydrophobicContact SD-CE2 4.21Å |
| 257 | E | 38.9 | Very low | 38.7 | Very low | 151 Ų | 151 | 125 Ų | 125 | 71% | 0.706 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -58 | -36.5 | -174.9 | -57.9 | -173.1 | 160.7 | 0 | 0 | 112.9 | P255 F259 F260 A261 | P255-E257 PolarHBondContact O-N 2.82Å; E257-F259 PolarHBondContact O-N 2.92Å; E257-F260 PolarHBondContact O-N 3.05Å; E257-A261 PolarHBondContact O-N 3.03Å |
| 258 | A | 42.6 | Very low | 38.6 | Very low | 83 Ų | 83 | 127.2 Ų | 127.2 | 69% | 0.686 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -64.7 | -23.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | M256 | M256-A258 VanDerWaalsContact C-N 3.27Å; M256-A258 PolarHBondContact O-N 3.24Å |
| 259 | F | 40.9 | Very low | 38.5 | Very low | 141 Ų | 141 | 126.6 Ų | 126.6 | 62% | 0.618 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -77.2 | -34.9 | 178.2 | -160.4 | -95.4 | 0 | 0 | 0 | 111.6 | M256 E257 S262 | M256-F259 HydrophobicContact CG-CB 4.13Å; M256-F259 WeakPolarHBondContact O-CB 3.33Å; M256-F259 PolarHBondContact O-N 2.81Å; E257-F259 PolarHBondContact O-N 2.92Å; F259-S262 PolarHBondContact O-N 3.29Å |
| 260 | F | 43.5 | Very low | 38.5 | Very low | 134 Ų | 134 | 128.6 Ų | 128.6 | 59% | 0.588 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -69 | -35.8 | 175.1 | -69.6 | -78.2 | 0 | 0 | 0 | 112 | M256 E257 S262 C263 | M256-F260 HydrophobicContact CG-CE2 4.06Å; M256-F260 WeakPolarHBondContact O-CD2 3.36Å; M256-F260 HydrophobicContact SD-CE2 4.21Å; E257-F260 PolarHBondContact O-N 3.05Å; F260-S262 PolarHBondContact O-N 3.1Å; F260-C263 PolarHBondContact O-N 3.21Å |
| 261 | A | 46.2 | Very low | 38.5 | Very low | 79 Ų | 79 | 130.3 Ų | 130.3 | 65% | 0.653 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | -7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | E257 | E257-A261 PolarHBondContact O-N 3.03Š|
| 262 | S | 39.1 | Very low | 38.5 | Very low | 95 Ų | 95 | 135.9 Ų | 135.9 | 66% | 0.664 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.9 | -1.2 | -179.8 | -169.6 | 0 | 0 | 0 | 0 | 114.3 | F259 F260 | F259-S262 PolarHBondContact O-N 3.29Å; F260-S262 PolarHBondContact O-N 3.1Å |
| 263 | C | 35.4 | Very low | 38.6 | Very low | 98 Ų | 98 | 134.9 Ų | 134.9 | 66% | 0.662 | 73% | 0.728 | S | S | * | * | trans | -95 | -7.6 | -177 | -68 | 0 | 0 | 0 | 0 | 114.6 | F260 I265 | F260-C263 PolarHBondContact O-N 3.21Å; C263-I265 VanDerWaalsContact C-N 3.26Å; C263-I265 PolarHBondContact O-N 3.49Å | ||
| 264 | D | 32.1 | Very low | 38.6 | Very low | 147 Ų | 147 | 133.7 Ų | 133.7 | 79% | 0.786 | 73% | 0.732 | S | S | * | * | trans | -78.7 | 59.8 | -179.9 | -75.3 | -59.9 | 0 | 0 | 0 | 113.7 | ||||
| 265 | I | 36.2 | Very low | 38.7 | Very low | 162 Ų | 162 | 129.1 Ų | 129.1 | 83% | 0.831 | 73% | 0.731 | S | S | * | * | trans | -123.7 | 77.8 | 169.9 | -54.9 | -176.1 | 0 | 0 | 0 | 109.5 | C263 | C263-I265 VanDerWaalsContact C-N 3.26Å; C263-I265 PolarHBondContact O-N 3.49Å | ||
| 266 | G | 33.8 | Very low | 39.2 | Very low | 68 Ų | 68 | 130.1 Ų | 130.1 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | trans | -143 | 70 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 267 | S | 32.1 | Very low | 39.2 | Very low | 123 Ų | 123 | 134.9 Ų | 134.9 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | trans | 75 | 119.7 | 176.7 | -43 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 268 | L | 35 | Very low | 39.4 | Very low | 167 Ų | 167 | 132.5 Ų | 132.5 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | 174.1 | 116.7 | 103.6 | -174.3 | 60.2 | 0 | 0 | 0 | 112.5 | |||||
| 269 | A | 35.1 | Very low | 39.3 | Very low | 84 Ų | 84 | 134.7 Ų | 134.7 | 69% | 0.694 | 76% | 0.757 | S | S | * | * | trans | 53.2 | 117.4 | 149.4 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 270 | K | 42.2 | Very low | 39.4 | Very low | 192 Ų | 192 | 135.1 Ų | 135.1 | 84% | 0.835 | 77% | 0.766 | S | S | * | * | 100 | 120.1 | 119.9 | -152.5 | 161.3 | -176.7 | 173.7 | 0 | 120 | |||||
| 271 | K | 41.3 | Very low | 39.4 | Very low | 195 Ų | 195 | 135.8 Ų | 135.8 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | trans | 82.5 | 123.1 | 159.6 | -64.8 | -102.8 | -177.7 | 172.3 | 0 | 119.4 | ||||
| 272 | R | 37.2 | Very low | 39.2 | Very low | 235 Ų | 235 | 134.6 Ų | 134.6 | 89% | 0.887 | 77% | 0.772 | S | S | * | * | trans | -85.9 | 164.3 | 158.2 | -72.1 | 178.9 | 169.1 | 177.6 | -5.1 | 110.8 | ||||
| 273 | P | 41.3 | Very low | 39.3 | Very low | 119 Ų | 119 | 133.8 Ų | 133.8 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | -130.8 | 132.3 | 109.3 | 36.3 | -27.2 | 0 | 0 | 0 | 112.4 | |||||
| 274 | V | 39.9 | Very low | 40 | Very low | 141 Ų | 141 | 139.1 Ų | 139.1 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | 84.7 | 137 | 93 | 175.2 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 275 | S | 41.8 | Very low | 40.8 | Very low | 104 Ų | 104 | 137.5 Ų | 137.5 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -133.6 | 163.3 | -178.1 | 163.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 276 | P | 48.5 | Very low | 41.5 | Very low | 113 Ų | 113 | 135.9 Ų | 135.9 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | trans | -135.1 | 138 | 148.3 | 35 | -20.5 | 0 | 0 | 0 | 116 | ||||
| 277 | Y | 39.6 | Very low | 42.1 | Very low | 202 Ų | 202 | 139.8 Ų | 139.8 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | trans | 58.1 | 114.7 | 147.2 | -86.7 | -85.8 | 0 | 0 | 0 | 122.4 | D279 | Y277-D279 WeakPolarHBondContact CE1-OD2 3.41Š| ||
| 278 | A | 43.5 | Very low | 42.9 | Very low | 101 Ų | 101 | 142.2 Ų | 142.2 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | -163.8 | 133.4 | 101.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 279 | D | 40.9 | Very low | 43.5 | Very low | 129 Ų | 129 | 145.3 Ų | 145.3 | 69% | 0.69 | 79% | 0.794 | S | S | * | * | trans | -78.9 | 167.2 | 167.2 | -36.7 | -103.7 | 0 | 0 | 0 | 109.8 | Y277 | Y277-D279 WeakPolarHBondContact CE1-OD2 3.41Š| ||
| 280 | D | 42.5 | Very low | 44.1 | Very low | 150 Ų | 150 | 144.8 Ų | 144.8 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | cis | -150.3 | -163.8 | -5.2 | -148.1 | 178.2 | 0 | 0 | 0 | 106.2 | ||||
| 281 | D | 43 | Very low | 43.8 | Very low | 147 Ų | 147 | 144.6 Ų | 144.6 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | cis | -156.2 | 178.3 | 3.2 | 161.5 | -123.6 | 0 | 0 | 0 | 107 | ||||
| 282 | G | 42.4 | Very low | 44.4 | Very low | 55 Ų | 55 | 143.8 Ų | 143.8 | 57% | 0.567 | 80% | 0.804 | S | S | * | * | trans | 96.1 | 41.9 | 137 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 283 | G | 40.6 | Very low | 44.8 | Very low | 77 Ų | 77 | 139.9 Ų | 139.9 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | -74 | 156 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 284 | K | 50.6 | Low | 44.7 | Very low | 211 Ų | 211 | 143 Ų | 143 | 92% | 0.917 | 81% | 0.806 | S | S | * | * | trans | -166 | 157.2 | 149.8 | 46.2 | -156.1 | 171.1 | -163.8 | 0 | 112.1 | ||||
| 285 | S | 49.7 | Very low | 44.9 | Very low | 112 Ų | 112 | 140.1 Ų | 140.1 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 155.8 | -158.8 | -50.6 | 0 | 0 | 0 | 0 | 116.2 | ||
| 286 | P | 49.6 | Very low | 45 | Very low | 129 Ų | 129 | 145.5 Ų | 145.5 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 157.9 | 170.1 | 30.8 | -35.8 | 0 | 0 | 0 | 112.7 | ||
| 287 | M | 46.8 | Very low | 44.7 | Very low | 149 Ų | 149 | 143.7 Ų | 143.7 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 140.9 | -166.1 | -68.5 | 148.7 | 58.1 | 0 | 0 | 115 | W289 | M287-W289 HydrophobicContact CE-CZ2 4.47Š|
| 288 | L | 48.8 | Very low | 44.9 | Very low | 175 Ų | 175 | 142.1 Ų | 142.1 | 92% | 0.916 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 141.3 | 149.2 | -80 | 155.5 | 0 | 0 | 0 | 109 | ||
| 289 | W | 47.6 | Very low | 44.9 | Very low | 231 Ų | 231 | 143.4 Ų | 143.4 | 88% | 0.875 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 121.7 | 163.1 | -70.9 | 87.3 | 0 | 0 | 0 | 108.1 | M287 | M287-W289 HydrophobicContact CE-CZ2 4.47Š|
| 290 | G | 48.7 | Very low | 45.1 | Very low | 74 Ų | 74 | 144.9 Ų | 144.9 | 76% | 0.763 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 144.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 291 | E | 36.6 | Very low | 44.9 | Very low | 188 Ų | 188 | 144.3 Ų | 144.3 | 88% | 0.879 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 141.5 | 169.5 | -62.8 | 148 | 101 | 0 | 0 | 110 | ||
| 292 | D | 53.4 | Low | 44.7 | Very low | 177 Ų | 177 | 146.7 Ų | 146.7 | 95% | 0.947 | 82% | 0.821 | S | S | * | * | trans | -166.5 | 164.2 | 154.2 | -102.8 | -37.5 | 0 | 0 | 0 | 110.1 | ||||
| 293 | D | 44.2 | Very low | 44.5 | Very low | 153 Ų | 153 | 152.1 Ų | 152.1 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | trans | -112.6 | -173.4 | -150.3 | -146.8 | -67.7 | 0 | 0 | 0 | 116 | ||||
| 294 | E | 41.2 | Very low | 44.6 | Very low | 186 Ų | 186 | 156.7 Ų | 156.7 | 87% | 0.869 | 83% | 0.834 | S | S | * | * | trans | 71.2 | 120.4 | 166.2 | -59 | -153.9 | 93.6 | 0 | 0 | 120.2 | ||||
| 295 | G | 42 | Very low | 44.4 | Very low | 80 Ų | 80 | 150.7 Ų | 150.7 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | trans | -175.8 | 32.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 296 | K | 45.2 | Very low | 44.9 | Very low | 217 Ų | 217 | 151.1 Ų | 151.1 | 94% | 0.943 | 82% | 0.824 | S | S | * | * | trans | 15.3 | 118.5 | 165.4 | -73.3 | 173.8 | 176.1 | 164.9 | 0 | 119.4 | ||||
| 297 | G | 41.3 | Very low | 45.4 | Very low | 75 Ų | 75 | 151 Ų | 151 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | trans | -166.5 | 68.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 298 | I | 44.4 | Very low | 45.2 | Very low | 168 Ų | 168 | 152.1 Ų | 152.1 | 86% | 0.862 | 83% | 0.829 | S | S | * | * | trans | 51.6 | 120.8 | 151.7 | -61.3 | 176.6 | 0 | 0 | 0 | 119.4 | ||||
| 299 | V | 43.2 | Very low | 45.7 | Very low | 128 Ų | 128 | 152.7 Ų | 152.7 | 78% | 0.776 | 83% | 0.829 | S | S | * | * | trans | -42.6 | 151.3 | 167.2 | -68.9 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 300 | D | 45 | Very low | 45.4 | Very low | 161 Ų | 161 | 149.2 Ų | 149.2 | 86% | 0.861 | 83% | 0.828 | S | S | * | * | -149.9 | 160.4 | 115 | -131.5 | -33.2 | 0 | 0 | 0 | 112.4 | |||||
| 301 | H | 39.7 | Very low | 45.2 | Very low | 137 Ų | 137 | 150 Ų | 150 | 63% | 0.634 | 83% | 0.827 | S | S | * | * | trans | -123.8 | 114 | -162.9 | 166.7 | 93 | 0 | 0 | 0 | 113.4 | ||||
| 302 | F | 38.1 | Very low | 45.6 | Very low | 198 Ų | 198 | 145.9 Ų | 145.9 | 87% | 0.868 | 83% | 0.825 | S | S | * | * | trans | -144.1 | 124.1 | 157.7 | -86.3 | -72.3 | 0 | 0 | 0 | 112.8 | ||||
| 303 | Q | 37.6 | Very low | 45.1 | Very low | 168 Ų | 168 | 140.9 Ų | 140.9 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | trans | -116.1 | 115 | 177.6 | 178.3 | 178.6 | 23.8 | 0 | 0 | 109.4 | ||||
| 304 | M | 42.2 | Very low | 45.3 | Very low | 173 Ų | 173 | 141.1 Ų | 141.1 | 85% | 0.852 | 82% | 0.815 | S | S | * | * | trans | -124.6 | 128.3 | 174.5 | -116.3 | 67.9 | -171.7 | 0 | 0 | 111 | ||||
| 305 | A | 47.2 | Very low | 45.6 | Very low | 85 Ų | 85 | 140.1 Ų | 140.1 | 70% | 0.702 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 155.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 306 | P | 60.2 | Low | 46.4 | Very low | 121 Ų | 121 | 141.5 Ų | 141.5 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 128.1 | 172.8 | 27.5 | -34.1 | 0 | 0 | 0 | 110.5 | ||
| 307 | P | 61.1 | Low | 46.9 | Very low | 126 Ų | 126 | 139.4 Ų | 139.4 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 133.3 | -179.1 | 29.5 | -33.8 | 0 | 0 | 0 | 111.7 | ||
| 308 | M | 41.6 | Very low | 47 | Very low | 173 Ų | 173 | 143.4 Ų | 143.4 | 85% | 0.852 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 142.8 | 160.4 | 62.2 | -158 | 72.9 | 0 | 0 | 110.2 | ||
| 309 | M | 59.7 | Low | 47.3 | Very low | 187 Ų | 187 | 140.9 Ų | 140.9 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | trans | -135.2 | 132.2 | 161.2 | 53.6 | 179.1 | 162 | 0 | 0 | 109.4 | ||||
| 310 | D | 40.4 | Very low | 47.6 | Very low | 158 Ų | 158 | 142.1 Ų | 142.1 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | trans | -88 | 176.5 | -167.8 | -115.3 | -57.7 | 0 | 0 | 0 | 113.3 | ||||
| 311 | A | 44.7 | Very low | 48.1 | Very low | 92 Ų | 92 | 139.3 Ų | 139.3 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | trans | -47.9 | 142.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 312 | A | 46.2 | Very low | 48.7 | Very low | 100 Ų | 100 | 140.4 Ų | 140.4 | 83% | 0.826 | 82% | 0.815 | S | S | * | * | 169.7 | 136.6 | 101.8 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 313 | G | 42 | Very low | 49.6 | Very low | 73 Ų | 73 | 136.6 Ų | 136.6 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | trans | 75 | 157 | 161.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 314 | I | 48.6 | Very low | 50.1 | Low | 157 Ų | 157 | 140.1 Ų | 140.1 | 81% | 0.805 | 82% | 0.816 | S | S | * | * | cis | -145.1 | 145.5 | 3.1 | -91.1 | 147.3 | 0 | 0 | 0 | 107.8 | V316 | I314-V316 HydrophobicContact CG2-CB 4.42Å; I314-V316 HydrophobicContact CG2-CG2 3.79Å; I314-V316 PolarHBondContact O-N 3.47Å | ||
| 315 | D | 46.7 | Very low | 50.2 | Low | 166 Ų | 166 | 135 Ų | 135 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | trans | -93.2 | 87.8 | -177.7 | -158.4 | -38.2 | 0 | 0 | 0 | 111.1 | ||||
| 316 | V | 60.2 | Low | 50 | Low | 108 Ų | 108 | 136.8 Ų | 136.8 | 66% | 0.655 | 80% | 0.804 | S | S | * | * | trans | -150 | 104.4 | 172.8 | -176.5 | 0 | 0 | 0 | 0 | 110 | I314 | I314-V316 HydrophobicContact CG2-CB 4.42Å; I314-V316 HydrophobicContact CG2-CG2 3.79Å; I314-V316 PolarHBondContact O-N 3.47Å | ||
| 317 | M | 54 | Low | 49.3 | Very low | 174 Ų | 174 | 136 Ų | 136 | 86% | 0.857 | 81% | 0.809 | S | S | * | * | trans | -177.6 | 42.8 | 136 | -123.8 | 77.8 | -178.7 | 0 | 0 | 114.3 | S319 | M317-S319 PolarHBondContact O-N 2.94Š| ||
| 318 | D | 44.2 | Very low | 48.8 | Very low | 158 Ų | 158 | 137.4 Ų | 137.4 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | trans | -95.7 | 75.8 | 168.2 | -160.6 | -14 | 0 | 0 | 0 | 110.7 | ||||
| 319 | S | 50.7 | Low | 48.5 | Very low | 115 Ų | 115 | 136.8 Ų | 136.8 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | -171.2 | 79.9 | 176.1 | -81.5 | 0 | 0 | 0 | 0 | 113.3 | M317 | M317-S319 PolarHBondContact O-N 2.94Š| ||
| 320 | I | 50.6 | Low | 47.7 | Very low | 155 Ų | 155 | 136.2 Ų | 136.2 | 80% | 0.795 | 79% | 0.793 | S | S | * | * | trans | -153.4 | 4 | 155.5 | -144.2 | 166.7 | 0 | 0 | 0 | 115.4 | D322 | I320-D322 VanDerWaalsContact C-N 3.34Å; I320-D322 PolarHBondContact O-N 2.9Å | ||
| 321 | A | 53.9 | Low | 47.9 | Very low | 102 Ų | 102 | 132.7 Ų | 132.7 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -10.4 | -169 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 322 | D | 52.9 | Low | 48.4 | Very low | 159 Ų | 159 | 137 Ų | 137 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.2 | 4.9 | -168.3 | -91.2 | -53.4 | 0 | 0 | 0 | 115.7 | I320 Y324 | I320-D322 VanDerWaalsContact C-N 3.34Å; I320-D322 PolarHBondContact O-N 2.9Å; D322-Y324 PolarHBondContact O-N 3.24Å |
| 323 | V | 57.4 | Low | 48.1 | Very low | 119 Ų | 119 | 137 Ų | 137 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | trans | -98.5 | 35.4 | -172.9 | -157.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 324 | Y | 48.4 | Very low | 48.4 | Very low | 242 Ų | 242 | 138.3 Ų | 138.3 | 95% | 0.949 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -137.7 | 44.4 | 169 | -99.7 | -77.9 | 0 | 0 | 0 | 112.8 | D322 | D322-Y324 PolarHBondContact O-N 3.24Š|
| 325 | G | 44.1 | Very low | 47.9 | Very low | 64 Ų | 64 | 138 Ų | 138 | 66% | 0.66 | 78% | 0.776 | S | S | * | * | trans | -115.3 | 149.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 326 | D | 41.7 | Very low | 48.2 | Very low | 123 Ų | 123 | 134.7 Ų | 134.7 | 66% | 0.658 | 77% | 0.766 | S | S | * | * | trans | 65 | 75.3 | 169.9 | -161.5 | 21.6 | 0 | 0 | 0 | 118.4 | K328 | D326-K328 VanDerWaalsContact OD1-CE 3.26Å; D326-K328 WeakPolarHBondContact OD1-CE 3.49Å; D326-K328 VanDerWaalsContact OD1-CG 3.28Å; D326-K328 WeakPolarHBondContact OD1-CG 3.45Å; D326-K328 IonicContact OD1-NZ 2.68Å; D326-K328 PolarHBondContact OD1-NZ 3.18Å; D326-K328 IonicContact OD2-NZ 2.63Å; D326-K328 PolarHBondContact OD2-NZ 2.93Å | ||
| 327 | A | 45.6 | Very low | 47.7 | Very low | 106 Ų | 106 | 136.2 Ų | 136.2 | 88% | 0.876 | 78% | 0.776 | S | S | * | * | trans | -123.3 | 124.3 | 154.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 328 | K | 51.5 | Low | 47.2 | Very low | 154 Ų | 154 | 131.6 Ų | 131.6 | 67% | 0.67 | 77% | 0.773 | S | S | * | * | trans | -99.9 | 136.9 | -160.8 | -62 | -179 | 179.1 | 67.8 | 0 | 114.2 | D326 M330 | D326-K328 VanDerWaalsContact OD1-CE 3.26Å; D326-K328 WeakPolarHBondContact OD1-CE 3.49Å; D326-K328 VanDerWaalsContact OD1-CG 3.28Å; D326-K328 WeakPolarHBondContact OD1-CG 3.45Å; D326-K328 IonicContact OD1-NZ 2.68Å; D326-K328 PolarHBondContact OD1-NZ 3.18Å; D326-K328 IonicContact OD2-NZ 2.63Å; D326-K328 PolarHBondContact OD2-NZ 2.93Å; K328-M330 PolarHBondContact O-N 3.22Å | ||
| 329 | H | 35.2 | Very low | 47.4 | Very low | 160 Ų | 160 | 129.6 Ų | 129.6 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | trans | 3.8 | 104.1 | 144.8 | 179.9 | -76.6 | 0 | 0 | 0 | 116.9 | T331 | H329-T331 PolarHBondContact CE1-OG1 3.26Å; H329-T331 PolarHBondContact NE2-OG1 3.27Å | ||
| 330 | M | 43 | Very low | 47.5 | Very low | 175 Ų | 175 | 134.4 Ų | 134.4 | 86% | 0.862 | 78% | 0.777 | S | S | * | * | trans | -125.9 | 108.4 | 161 | -75.4 | -95 | 66.8 | 0 | 0 | 109.1 | K328 | K328-M330 PolarHBondContact O-N 3.22Š| ||
| 331 | T | 44.3 | Very low | 47.1 | Very low | 85 Ų | 85 | 130.9 Ų | 130.9 | 52% | 0.521 | 78% | 0.779 | S | S | . | * | trans | -84.1 | 135.9 | 177.1 | -38.3 | 0 | 0 | 0 | 0 | 110.2 | H329 | H329-T331 PolarHBondContact CE1-OG1 3.26Å; H329-T331 PolarHBondContact NE2-OG1 3.27Å | ||
| 332 | M | 54.6 | Low | 46.5 | Very low | 182 Ų | 182 | 130 Ų | 130 | 90% | 0.897 | 78% | 0.781 | S | S | * | * | trans | -136.5 | 123.6 | 158.5 | -68.5 | -61.9 | -77.6 | 0 | 0 | 109 | ||||
| 333 | S | 40.2 | Very low | 45.8 | Very low | 100 Ų | 100 | 126.1 Ų | 126.1 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | trans | -89.4 | 151.4 | 176.9 | -56.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 334 | S | 47.7 | Very low | 45.3 | Very low | 100 Ų | 100 | 129.5 Ų | 129.5 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | 168.4 | 135.8 | 108.4 | -83.1 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 335 | D | 39.9 | Very low | 45.2 | Very low | 150 Ų | 150 | 124.8 Ų | 124.8 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | trans | 32 | 140 | 143.9 | -48.2 | -26.1 | 0 | 0 | 0 | 120.5 | ||||
| 336 | S | 51.5 | Low | 45.6 | Very low | 97 Ų | 97 | 127.4 Ų | 127.4 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | cis | -168.4 | 158.5 | 32.2 | -145.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 337 | T | 51.2 | Low | 45.8 | Very low | 140 Ų | 140 | 131 Ų | 131 | 86% | 0.859 | 78% | 0.782 | S | S | * | * | trans | 50.9 | 131.6 | 156.3 | 55.5 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 338 | G | 42.1 | Very low | 45.9 | Very low | 77 Ų | 77 | 133.6 Ų | 133.6 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | -173.5 | -9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 339 | S | 49.6 | Very low | 45.9 | Very low | 116 Ų | 116 | 133 Ų | 133 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | trans | 51.1 | 109.4 | 169.1 | -73.2 | 0 | 0 | 0 | 0 | 122 | ||||
| 340 | K | 51.5 | Low | 46.5 | Very low | 216 Ų | 216 | 136.3 Ų | 136.3 | 94% | 0.939 | 79% | 0.786 | S | S | * | * | trans | 58.9 | 109.1 | 138.2 | -66.4 | -175.8 | 174.7 | -179.9 | 0 | 121.1 | ||||
| 341 | G | 42.4 | Very low | 47.1 | Very low | 81 Ų | 81 | 134.2 Ų | 134.2 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | trans | -161.2 | 136.3 | 150.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 342 | G | 42 | Very low | 47.5 | Very low | 85 Ų | 85 | 135.5 Ų | 135.5 | 88% | 0.876 | 80% | 0.798 | S | S | * | * | trans | -87.4 | 169.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 343 | G | 38 | Very low | 46.9 | Very low | 77 Ų | 77 | 134.8 Ų | 134.8 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | cis | 146.7 | 58.9 | 2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 344 | F | 46.7 | Very low | 47.4 | Very low | 190 Ų | 190 | 141.9 Ų | 141.9 | 83% | 0.833 | 81% | 0.808 | S | S | * | * | trans | -145.3 | 136.5 | 166.3 | 62.3 | -88.5 | 0 | 0 | 0 | 110 | ||||
| 345 | D | 45.9 | Very low | 47.6 | Very low | 143 Ų | 143 | 148.5 Ų | 148.5 | 77% | 0.765 | 82% | 0.818 | S | S | * | * | trans | -132.3 | 121.7 | 177 | -171.7 | -46.5 | 0 | 0 | 0 | 107.7 | R347 | D345-R347 PolarHBondContact OD1-N 3.33Š| ||
| 346 | V | 54.2 | Low | 48.6 | Very low | 118 Ų | 118 | 147 Ų | 147 | 72% | 0.715 | 82% | 0.816 | S | S | * | * | trans | -111 | 67.1 | -177 | -173.1 | 0 | 0 | 0 | 0 | 109.3 | L348 | V346-L348 VanDerWaalsContact C-N 3.33Å; V346-L348 PolarHBondContact O-N 3.31Å | ||
| 347 | R | 44.8 | Very low | 48.2 | Very low | 199 Ų | 199 | 150.1 Ų | 150.1 | 75% | 0.751 | 82% | 0.82 | S | S | * | * | trans | -70.1 | 83.5 | 172.2 | -172.3 | -177.1 | 174.9 | 123.8 | 1.9 | 111.6 | D345 E349 | D345-R347 PolarHBondContact OD1-N 3.33Å; R347-E349 IonicContact NE-OE1 3.49Å; R347-E349 IonicContact NH2-OE1 3.48Å; R347-E349 PolarHBondContact NH2-OE1 3.29Å; R347-E349 PolarHBondContact O-N 3.41Å; R347-E349 VanDerWaalsContact O-N 3.11Å | ||
| 348 | L | 48.3 | Very low | 48.6 | Very low | 161 Ų | 161 | 152 Ų | 152 | 84% | 0.843 | 82% | 0.821 | S | S | * | * | trans | -79.5 | 90.5 | 175.3 | -146.1 | 76.4 | 0 | 0 | 0 | 111 | V346 | V346-L348 VanDerWaalsContact C-N 3.33Å; V346-L348 PolarHBondContact O-N 3.31Å | ||
| 349 | E | 50.6 | Low | 48.8 | Very low | 142 Ų | 142 | 151.5 Ų | 151.5 | 66% | 0.664 | 82% | 0.816 | S | S | * | * | trans | -57.9 | 146.4 | 173.3 | -88.8 | -90.7 | 131 | 0 | 0 | 112.5 | R347 P351 | R347-E349 IonicContact NE-OE1 3.49Å; R347-E349 IonicContact NH2-OE1 3.48Å; R347-E349 PolarHBondContact NH2-OE1 3.29Å; R347-E349 PolarHBondContact O-N 3.41Å; R347-E349 VanDerWaalsContact O-N 3.11Å; E349-P351 WeakPolarHBondContact O-CD 3.43Å | ||
| 350 | R | 47.1 | Very low | 48.8 | Very low | 229 Ų | 229 | 149.8 Ų | 149.8 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | trans | -100.7 | 107 | -177.4 | -178.7 | -177 | -176.8 | 177.2 | 2.5 | 110.3 | S352 | R350-S352 PolarHBondContact O-N 2.98Š| ||
| 351 | P | 56.4 | Low | 48.9 | Very low | 130 Ų | 130 | 144.9 Ų | 144.9 | 84% | 0.844 | 81% | 0.809 | S | S | * | * | trans | -64.9 | 127.4 | -173.4 | -23.4 | 35.1 | 0 | 0 | 0 | 113.1 | E349 | E349-P351 WeakPolarHBondContact O-CD 3.43Š| ||
| 352 | S | 52 | Low | 49.3 | Very low | 113 Ų | 113 | 147 Ų | 147 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | trans | -104.1 | 156.2 | 172.2 | -169 | 0 | 0 | 0 | 0 | 111.3 | R350 R354 | R350-S352 PolarHBondContact O-N 2.98Å; S352-R354 PolarHBondContact O-N 3.46Å | ||
| 353 | L | 42.5 | Very low | 49.8 | Very low | 167 Ų | 167 | 148.8 Ų | 148.8 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | -68.2 | 130.7 | -167.6 | -73.3 | 75.6 | 0 | 0 | 0 | 112.7 | ||||
| 354 | R | 51.4 | Low | 50.4 | Low | 248 Ų | 248 | 151.8 Ų | 151.8 | 94% | 0.936 | 81% | 0.81 | S | S | * | * | trans | -128.4 | 134.3 | 150.8 | -77.1 | -166.8 | 171.6 | -168 | -1.2 | 110.7 | S352 | S352-R354 PolarHBondContact O-N 3.46Š| ||
| 355 | R | 50.8 | Low | 50.7 | Low | 240 Ų | 240 | 151.3 Ų | 151.3 | 91% | 0.906 | 82% | 0.815 | S | S | * | * | trans | -109.1 | 126.5 | 177.8 | -167.6 | -173.2 | -151.9 | -149.9 | 6.2 | 107.8 | H357 | R355-H357 PolarHBondContact O-N 3.26Š| ||
| 356 | P | 61.2 | Low | 50.6 | Low | 117 Ų | 117 | 148 Ų | 148 | 76% | 0.76 | 81% | 0.814 | S | S | * | * | trans | -73.2 | 129.2 | 178.7 | 28.7 | -32.7 | 0 | 0 | 0 | 110.8 | ||||
| 357 | H | 43.4 | Very low | 50.2 | Low | 164 Ų | 164 | 146.6 Ų | 146.6 | 76% | 0.759 | 82% | 0.824 | S | S | * | * | trans | -91.2 | 129.5 | 156.3 | 149.8 | -75.1 | 0 | 0 | 0 | 107.5 | R355 | R355-H357 PolarHBondContact O-N 3.26Š| ||
| 358 | M | 59.3 | Low | 50.5 | Low | 180 Ų | 180 | 141.2 Ų | 141.2 | 89% | 0.887 | 83% | 0.831 | S | S | * | * | trans | -138.8 | 113.4 | 162.7 | -73.6 | -62.8 | -176.6 | 0 | 0 | 107.9 | ||||
| 359 | G | 47.4 | Very low | 50.6 | Low | 66 Ų | 66 | 142.1 Ų | 142.1 | 68% | 0.68 | 83% | 0.83 | S | S | * | * | trans | -96.4 | 143.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 360 | G | 49.6 | Very low | 51 | Low | 79 Ų | 79 | 141.9 Ų | 141.9 | 81% | 0.814 | 84% | 0.839 | S | S | * | * | trans | -162.5 | 119 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 361 | S | 52.7 | Low | 51.5 | Low | 113 Ų | 113 | 141.4 Ų | 141.4 | 79% | 0.79 | 84% | 0.837 | S | S | * | * | trans | -43.3 | 149.5 | -169.8 | -48.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 362 | P | 50.8 | Low | 51.6 | Low | 127 Ų | 127 | 142.3 Ų | 142.3 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | trans | -82.6 | 148.4 | 164.5 | 35.3 | -33.1 | 0 | 0 | 0 | 111.9 | ||||
| 363 | S | 53.3 | Low | 51.9 | Low | 121 Ų | 121 | 144.8 Ų | 144.8 | 85% | 0.846 | 84% | 0.838 | S | S | * | * | trans | -134.7 | 143.9 | 170.6 | -74.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 364 | V | 50.9 | Low | 52.6 | Low | 141 Ų | 141 | 142 Ų | 142 | 86% | 0.855 | 83% | 0.833 | S | S | * | * | trans | -105.5 | 127.7 | -171.3 | 172.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 365 | L | 51.8 | Low | 52.7 | Low | 179 Ų | 179 | 141.8 Ų | 141.8 | 94% | 0.937 | 83% | 0.834 | S | S | * | * | trans | -172.9 | 145.3 | 159.5 | -95.8 | 140.3 | 0 | 0 | 0 | 107.7 | ||||
| 366 | G | 44.2 | Very low | 53.2 | Low | 73 Ų | 73 | 137.3 Ų | 137.3 | 75% | 0.753 | 86% | 0.863 | S | S | * | * | cis | 160.4 | 99 | -10 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 367 | G | 46.3 | Very low | 52.8 | Low | 90 Ų | 90 | 138.4 Ų | 138.4 | 93% | 0.928 | 87% | 0.868 | S | S | * | * | trans | 89 | 158.3 | 168 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 368 | G | 49.8 | Very low | 53.3 | Low | 86 Ų | 86 | 137 Ų | 137 | 89% | 0.887 | 87% | 0.873 | S | S | * | * | trans | 133.8 | 96.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 369 | Q | 52.2 | Low | 53 | Low | 180 Ų | 180 | 134.6 Ų | 134.6 | 84% | 0.841 | 87% | 0.873 | S | S | * | * | trans | -132.5 | 104.5 | -173.7 | -179.9 | -166.5 | 92.1 | 0 | 0 | 113 | ||||
| 370 | T | 57.7 | Low | 53.3 | Low | 137 Ų | 137 | 138.6 Ų | 138.6 | 84% | 0.84 | 88% | 0.884 | S | S | * | * | trans | -160.3 | 129.8 | 155.7 | 33.7 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 371 | R | 58 | Low | 53.5 | Low | 219 Ų | 219 | 142.4 Ų | 142.4 | 83% | 0.826 | 89% | 0.888 | S | S | * | * | 66.4 | 98.6 | 52 | -73.2 | -167.8 | 170 | -167.1 | -1.1 | 114.8 | |||||
| 372 | N | 58.2 | Low | 53.6 | Low | 148 Ų | 148 | 144.3 Ų | 144.3 | 79% | 0.791 | 90% | 0.895 | S | S | * | * | trans | -167.6 | 111.1 | 135 | -87.1 | -33.5 | 0 | 0 | 0 | 106.6 | ||||
| 373 | L | 59.1 | Low | 53.8 | Low | 165 Ų | 165 | 145.6 Ų | 145.6 | 86% | 0.864 | 90% | 0.9 | S | S | * | * | 74.7 | 126.1 | 87.5 | -96.4 | 79.2 | 0 | 0 | 0 | 114 | |||||
| 374 | S | 56.5 | Low | 53.8 | Low | 109 Ų | 109 | 147.5 Ų | 147.5 | 76% | 0.762 | 90% | 0.904 | S | S | * | * | trans | -97.8 | 141.5 | 172.4 | 173.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 375 | Y | 53.6 | Low | 54 | Low | 243 Ų | 243 | 148 Ų | 148 | 95% | 0.953 | 91% | 0.908 | S | S | * | * | trans | -165.8 | 137.8 | 138.5 | -114.8 | -75.6 | 0 | 0 | 0 | 109 | ||||
| 376 | G | 61.1 | Low | 54.2 | Low | 147 Ų | 147 | 145.2 Ų | 145.2 | 100% | 1.515 | 91% | 0.906 | S | S | * | * | trans | 158.5 | 0 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111 |
Retrieved 376 of 376 residues in 167.3 ms
(Link to these results)